[gmx-users] combination rules

priyanka srivastava priyankaps4 at yahoo.com
Sat Jun 2 09:02:38 CEST 2007

Dear Mark,
Thanx for your reply.

Chapter 5 describes it, but I guess that is described
in a more general way! GORMOS87 uses a different kind
of scaling which is not mentioned in chapter 5 and
hence I am just curious to know whether GROMOS96 also
uses same scaling scheme as is used for GROMOS87 or a
different one, or the one that is mentioned in
chapter5. Also, this is specific to the [pairtypes] in


--- Mark Abraham <Mark.Abraham at anu.edu.au> wrote:

> priyanka srivastava wrote:
> > Dear All,
> > 
> > I would be really thankful if somebody could tell
> me
> > the combination rules used for creating the
> > [pairtypes] in lipid.itp (i.e. the 1,4
> interactions)
> > in GROMOS96. Is it the same as is used in
> Does the chapter five of GROMACS manual not describe
> this?
> Mark
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