Previous Thread
Next Thread
Print Thread
user defined RTF file
#1379 05/08/04 01:42 AM
Joined: May 2004
Posts: 2
F
fengw Offline OP
Forum Member
OP Offline
Forum Member
F
Joined: May 2004
Posts: 2
Dear All,
I need some help with basics of charmm RTF files. I defined a Residue CAPCH3 for myself in a RTF file, and read it by the following commands: OPEN UNIT 10 READ CARD NAME "MYRESIDU.RTF"; READ RTF UNIT 10; READ SEQU CAPCH3 1, GENE CAPS SETUP; IC PARA; IC BUILD, ..... I got a message that says: ******ERROR GENIC****** Residue was not found.

I believe the definition of new residue is something pretty common, but in no means I can figure out why I got this error message always. I tried to put the definition of the residue directly into the top_all22_prot.inp, it still didn't work, Maybe I missed some general concepts of Charmm ? Thank you very much if any of you can offer some advice on this

Re: user defined RTF file
fengw #1380 05/08/04 06:09 PM
Joined: Nov 2003
Posts: 81
Forum Member
Offline
Forum Member
Joined: Nov 2003
Posts: 81
Try restricting your residue name to only four characters.


Jeffrey L. Nauss, Ph.D. San Diego, CA
Re: user defined RTF file
nauss #1381 05/09/04 03:35 PM
Joined: May 2004
Posts: 2
F
fengw Offline OP
Forum Member
OP Offline
Forum Member
F
Joined: May 2004
Posts: 2
Thank a lot , Dr. Nauss. It works. Four characters should be good

Re: user defined RTF file
fengw #1382 05/25/04 06:30 AM
Joined: Sep 2003
Posts: 394
Forum Member
Online Content
Forum Member
Joined: Sep 2003
Posts: 394
Note: In c31, we've extended these names to six characters...


Moderated by  lennart, rmv 

Link Copied to Clipboard
Powered by UBB.threads™ PHP Forum Software 7.7.4
(Release build 20200307)
Responsive Width:

PHP: 5.6.33-0+deb8u1 Page Time: 0.012s Queries: 22 (0.006s) Memory: 0.9114 MB (Peak: 0.9922 MB) Data Comp: Off Server Time: 2020-08-09 00:04:26 UTC
Valid HTML 5 and Valid CSS