Error while reading CHARMM36 parameter file - 07/17/20 10:28 PM
Hello everyone,
I downloaded and installed the recent version of CHARMM the other day, and I can't make it work with the CHARMM36 parameter file. An attempt to read file "charmm/toppar/par_all36_prot.prm" results in an error. Is there any way to resolve this? Thanks.
1
Chemistry at HARvard Macromolecular Mechanics
(CHARMM) - Free Version 44b2 February 15, 2020
686801d1a
Copyright(c) 1984-2020 President and Fellows of Harvard College
All Rights Reserved
Current operating system: Linux-5.3.0-62-generic(x86_64)@hawo-machine
Created on 7/18/20 at 1:15:48 by user: hawo
Maximum number of ATOMS: 360720, and RESidues: 120240
bomblev -1
RDTITL> BOMBLEV -1
***** LEVEL 1 WARNING FROM *****
***** Title expected.
******************************************
BOMLEV ( 0) IS NOT REACHED. WRNLEV IS 5
RDTITL> No title read.
***** LEVEL 1 WARNING FROM *****
***** Title expected.
******************************************
BOMLEV ( 0) IS NOT REACHED. WRNLEV IS 5
open unit 1 read card name top_all36_prot.rtf
CHARMM> open unit 1 read card name top_all36_prot.rtf
VOPEN> Attempting to open::top_all36_prot.rtf::
OPNLGU> Unit 1 opened for READONLY access to top_all36_prot.rtf
read rtf card unit 1
CHARMM> read rtf card unit 1
MAINIO> Residue topology file being read from unit 1.
TITLE> *>>>>>>>>CHARMM36 ALL-HYDROGEN TOPOLOGY FILE FOR PROTEINS <<<<<<
TITLE> *>>>>> INCLUDES PHI, PSI CROSS TERM MAP (CMAP) CORRECTION <<<<<<<
TITLE> *>>>>>>>>>>>>>>>>>>>>>>>>>> MAY 2011 <<<<<<<<<<<<<<<<<<<<<<<<<<<<
TITLE> * ALL COMMENTS TO THE CHARMM WEB SITE: www.CHARMM.ORG
TITLE> * PARAMETER SET DISCUSSION FORUM
TITLE> *
close unit 1
CHARMM> close unit 1
VCLOSE: Closing unit 1 with status "KEEP"
open unit 2 read card name par_all36_prot.prm
CHARMM> open unit 2 read card name par_all36_prot.prm
VOPEN> Attempting to open::par_all36_prot.prm::
OPNLGU> Unit 2 opened for READONLY access to par_all36_prot.prm
read param card unit 2
CHARMM> read param card unit 2
PARAMETER FILE BEING READ FROM UNIT 2
TITLE> *>>>> CHARMM36 ALL-HYDROGEN PARAMETER FILE FOR PROTEINS <<<<<<<<<<
TITLE> *>>>>> INCLUDES PHI, PSI CROSS TERM MAP (CMAP) CORRECTION <<<<<<<<
TITLE> *>>>>>>>>>>>>>>>>>>>>>>>>>> FEB. 2012 <<<<<<<<<<<<<<<<<<<<<<<<<<<<
TITLE> * ALL COMMENTS TO THE CHARMM WEB SITE: www.CHARMM.ORG
TITLE> * PARAMETER SET DISCUSSION FORUM
TITLE> *
PARRDR> Error: Repeated ANGLE parameter ( 45123): NH2 CT2 CD
*** LEVEL -1 WARNING *** BOMLEV IS 0
BOMLEV HAS BEEN SATISFIED. TERMINATING.
I downloaded and installed the recent version of CHARMM the other day, and I can't make it work with the CHARMM36 parameter file. An attempt to read file "charmm/toppar/par_all36_prot.prm" results in an error. Is there any way to resolve this? Thanks.
1
Chemistry at HARvard Macromolecular Mechanics
(CHARMM) - Free Version 44b2 February 15, 2020
686801d1a
Copyright(c) 1984-2020 President and Fellows of Harvard College
All Rights Reserved
Current operating system: Linux-5.3.0-62-generic(x86_64)@hawo-machine
Created on 7/18/20 at 1:15:48 by user: hawo
Maximum number of ATOMS: 360720, and RESidues: 120240
bomblev -1
RDTITL> BOMBLEV -1
***** LEVEL 1 WARNING FROM
***** Title expected.
******************************************
BOMLEV ( 0) IS NOT REACHED. WRNLEV IS 5
RDTITL> No title read.
***** LEVEL 1 WARNING FROM
***** Title expected.
******************************************
BOMLEV ( 0) IS NOT REACHED. WRNLEV IS 5
open unit 1 read card name top_all36_prot.rtf
CHARMM> open unit 1 read card name top_all36_prot.rtf
VOPEN> Attempting to open::top_all36_prot.rtf::
OPNLGU> Unit 1 opened for READONLY access to top_all36_prot.rtf
read rtf card unit 1
CHARMM> read rtf card unit 1
MAINIO> Residue topology file being read from unit 1.
TITLE> *>>>>>>>>CHARMM36 ALL-HYDROGEN TOPOLOGY FILE FOR PROTEINS <<<<<<
TITLE> *>>>>> INCLUDES PHI, PSI CROSS TERM MAP (CMAP) CORRECTION <<<<<<<
TITLE> *>>>>>>>>>>>>>>>>>>>>>>>>>> MAY 2011 <<<<<<<<<<<<<<<<<<<<<<<<<<<<
TITLE> * ALL COMMENTS TO THE CHARMM WEB SITE: www.CHARMM.ORG
TITLE> * PARAMETER SET DISCUSSION FORUM
TITLE> *
close unit 1
CHARMM> close unit 1
VCLOSE: Closing unit 1 with status "KEEP"
open unit 2 read card name par_all36_prot.prm
CHARMM> open unit 2 read card name par_all36_prot.prm
VOPEN> Attempting to open::par_all36_prot.prm::
OPNLGU> Unit 2 opened for READONLY access to par_all36_prot.prm
read param card unit 2
CHARMM> read param card unit 2
PARAMETER FILE BEING READ FROM UNIT 2
TITLE> *>>>> CHARMM36 ALL-HYDROGEN PARAMETER FILE FOR PROTEINS <<<<<<<<<<
TITLE> *>>>>> INCLUDES PHI, PSI CROSS TERM MAP (CMAP) CORRECTION <<<<<<<<
TITLE> *>>>>>>>>>>>>>>>>>>>>>>>>>> FEB. 2012 <<<<<<<<<<<<<<<<<<<<<<<<<<<<
TITLE> * ALL COMMENTS TO THE CHARMM WEB SITE: www.CHARMM.ORG
TITLE> * PARAMETER SET DISCUSSION FORUM
TITLE> *
PARRDR> Error: Repeated ANGLE parameter ( 45123): NH2 CT2 CD
*** LEVEL -1 WARNING *** BOMLEV IS 0
BOMLEV HAS BEEN SATISFIED. TERMINATING.