[gmx-users] bypassing pdb2gmx
kgp.amit at gmail.com
Thu Sep 10 02:29:15 CEST 2009
I have a pdb file of my system and i want it to be fed into the GROMACS
software. I have a new force field for the simulation and i have made the
.top file manually which includes the new library FF files. I need to get a
.gro file from the .pdb file that i have. So, is there a way out to do this
without incorporating pdb2gmx because i dont use the standard FF and i dont
really have all the other datafiles for the new FF except for necessary bond
and nonbonded infos.
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