From: subbarao kanchi (ksubbu85_at_gmail.com)
Date: Thu Jan 24 2013 - 12:36:57 CST
thank you Victor,
Hopefully it will work for me.I will try with this.
On Thu, Jan 24, 2013 at 8:37 PM, Victor Ovchinnikov <ovchinnv_at_gmx.com>wrote:
> The NBFIX section of the (CHARMM) parameter file might do the trick for
> you: see, e.g., http://www.charmm.org/documentation/c32b2/parmfile.html
> On Thu, 2013-01-24 at 18:52 +0300, subbarao kanchi wrote:
> > Dear all,
> > I want to change the L-J interaction in between two
> > particular types of atoms in a system and do not want to disturb
> > (change) L-J interaction between others and these two types of atoms.
> > I do not know how change combination rule or proving the epsilon and
> > sigma in parameter file for two particular atom types separately.
> > It will be great full if any body suggest that whether it
> > is possible or not and the way how to achieve this.
> > Regards,
> > subbarao kanchi.
This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:20:53 CST