[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


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