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IC edit usage
#38077 09/09/20 06:18 AM
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aroman Offline OP
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Dear all,
I have a question about using IC edit.
My protein structure has residues over 1000. I edited some dihedrals in the residues having residue number beyond 1000 like the following.

Code
IC edit  
dihe pro0 1000 N pro0 1000 CA pro0 1000 CB pro0 1000 OG 60.0
end

The residues below 1000 (3 digits) were all ok but they failed to read with the error:

Code
*****  WARNING  ***** GETATN could not find the RESIDUE SEG="PRO0" RES="1000" ATOM="N   "
 *****  WARNING  ***** GETATN could not find the RESIDUE SEG="PRO0" RES="1000" ATOM="CA  "
 *****  WARNING  ***** GETATN could not find the RESIDUE SEG="PRO0" RES="1000" ATOM="CB  "
 *****  WARNING  ***** GETATN could not find the RESIDUE SEG="PRO0" RES="1000" ATOM="OG  "

Could u help me solve this problem?
Thanks alot

Re: IC edit usage
aroman #38080 09/09/20 02:25 PM
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rmv Offline
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What is the CHARMM version?

Can you use COOR PRINT to show the coordinates for those atoms?

Last edited by rmv; 09/09/20 06:57 PM. Reason: suggestion

Rick Venable
computational chemist

Re: IC edit usage
rmv #38081 09/15/20 02:33 AM
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aroman Offline OP
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Sry for late reply.
I solved this problem. I stupidly used old CHARMM, c35 version. The newest CHARMM is working fine.


Moderated by  lennart, rmv 

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