[gmx-users] Error in topology file
a.kukol at herts.ac.uk
Wed Apr 16 12:25:37 CEST 2008
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From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org] On Behalf Of s lal badshah
Sent: 16 April 2008 11:12
Subject: [gmx-users] Error in topology file
Hi ! I am doing simulation of cholera toxin, one with GTP( guanosine triphosphate) and other without it.The without GTP MD simulation I have done, now I started the other and when I used the pdb2gmx command on pdb file it says:
Program pdb2gmx, VERSION 3.3.1
Source code file: resall.c, line: 438
Residue 'GTP' not found in residue topology database
Earlier this already happen so I left that and was started the pdb having GTP removed but this time it is necessary for me.Should I use prodrg server or some thing else.
Hoping for guidance.
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