[gmx-users] Atom N not found....

rama david ramadavidgroup at gmail.com
Thu Apr 5 07:51:32 CEST 2012


Hi Gromacs friends,

When I given the command ...
pdb2gmx -f .. -o .. -p .. -ignh
I gate the following error..

------------------------------------------------------
Program pdb2gmx, VERSION 4.5.4
Source code file: /build/buildd/gromacs-4.5.4/src/kernel/pdb2top.c, line:
1070

Fatal error:
atom N not found in buiding block 1ACE while combining tdb and rtp
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors


When I goes through the detail of the website at
http://www.gromacs.org/Documentation/Errors and document
I come to know that I have to modify the rtp file,
*I am using G96 53a6 force field,*,,

Please is some one know how to do it ????


Thank you in Advance.....
Have a good day..
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