NBFix not working with charmm par file

From: Giovanni Bellesia (gbellesia_at_chem.ucsb.edu)
Date: Wed Jan 25 2006 - 17:36:03 CST

Hi all,
I know that a similar question has been asked a few days ago.
Is there any possibility to set the VDW pairs interactions explicitly
using NBFix in a charmm-style
parameter file ?
As a matter of fact they do not seem to work if one simply adds the line

NBFix <type1> <type2> <A> <B>

BTW, the command NBFix works perfectly if one uses a parameter file in
the X-Plor format
(you only need to have BOTH the NONBONDED and the NBFix lines)


This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:41:33 CST