[gmx-users] How to install a new Forcefield in Gromacs 4.5.3
Mark Abraham
Mark.Abraham at anu.edu.au
Fri Jan 21 03:15:46 CET 2011
In the first instance of creating a new forcefield, do so in your
working directory - create myforcefield.ff directory and fill it with
your fields. pdb2gmx 4.5.x will find this and let you use it according
to the name in forcefield.doc (IIRC). Once you have it working properly,
then consider installing this in the $GMXLIB folder for future convenience
Mark
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