[gmx-users] pdb2gmx -water

Paymon Pirzadeh ppirzade at ucalgary.ca
Tue Aug 18 21:33:41 CEST 2009

I am trying to use a different water model for my proteins (using oplsaa
force field). I use the .itp file which I developed, but pdb2gmx does
not accept it. I am a bit confused on how I can make my water model work
with OPLSaa. Based on what I saw from spc.itp or other samples, do I
need to change the names of my particles in my water .itp file by
including _FF_OPLS?


More information about the gromacs.org_gmx-users mailing list