[gmx-users] Including and itp file, for a residue
Arneh Babakhani
ababakha at mccammon.ucsd.edu
Sat May 6 00:54:18 CEST 2006
Hi, I'm trying to include the files dmpc.itp and lipid.itp , so that
pdb2gmx will recognize it when building my membrane toplogy.
Where exactly do I place the statement:
#include "dmpc.itp"
#include "lipid.itp"
???
I tried placing it in ffG43a2x.itp (that's the forcefield I'm using).
But I keep getting the following error:
-------------------------------------------------------
Program pdb2gmx, VERSION 3.3.1
Source code file: resall.c, line: 438
Fatal error:
Residue 'DMPC' not found in residue topology database
-------------------------------------------------------
I know this has been hashed out in previous messages, so I'm sorry for
bringing it up again, but I can't seem to get it to work!
Thanks,
Arneh
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