[gmx-users] Creating a topology file for small molecules

Felix Weng 100711003 at gms.tcu.edu.tw
Thu Dec 12 11:58:19 CET 2013


Dear all, 

I've been having trouble creating a topology file for small molecules SAM
and PA. I've tried using ATB, PRODRG, as wel as the command g_x2top, but
with no success.

Does anyone know any other ways to create a topology file for small molecues
for GROMACS?

Thanks in advance.

Felix Weng

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