[gmx-users] Loss of GTP in topology file.

s lal badshah shahbiochemist at yahoo.com
Mon Feb 18 07:56:17 CET 2008


Hi,
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:
Fatal error:
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?
regards,

SYED LAL BADSHAH 
M.Phil Scholar 
NCE in Physical Chemistry, 
University of Peshawar. 
NWFP,Pakistan. 
Cell # 03349060632.
 Send instant messages to your online friends http://uk.messenger.yahoo.com 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20080218/48bf342a/attachment.html>


More information about the gromacs.org_gmx-users mailing list