[gmx-users] Loss of GTP in topology file.
s lal badshah
shahbiochemist at yahoo.com
Mon Feb 18 07:56:17 CET 2008
I have added missing atoms to my pdb file through servers of WHATIF,when I use the force field option then the following output comes in shell console:
Residue 'GTP' not found in residue topology database
and the following files are created:
2a5f.top 2a5f_A.itp 2a5f_B.itp posre_A.itp posre_B.itp
Please guide me so that GTP is added to PDB.Further which force field and box will be better for my simulation of enzyme-Protein GTP complex?
SYED LAL BADSHAH
NCE in Physical Chemistry,
University of Peshawar.
Cell # 03349060632.
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