[gmx-users] scale tabulated non-bonded potentials?

Steven Neumann s.neumann08 at gmail.com
Thu Jan 16 09:47:59 CET 2014


Thanks. Yes, is there in [ atomtypes ] ? So tables are scaled even
non-Lennard Jones? I have 5 types of beads so 15 tables...in each only last
two non-zero columns - potential and its derivative present.  How can I  I
scale it by 0.5 for example?

Steven


On Wed, Jan 15, 2014 at 10:30 PM, Mark Abraham <mark.j.abraham at gmail.com>wrote:

> Yes, they get multiplied by parameters like charge, C6, C12 etc. Is that
> the question you're asking? :-)
>
> Mark
>
>
> On Wed, Jan 15, 2014 at 8:02 PM, Steven Neumann <s.neumann08 at gmail.com
> >wrote:
>
> > Dear Gmx Users,
> >
> > Is there any way in Gromacs to scale tabulated potentials from
> > energygrp_table (non-bonded)?
> >
> > Steven
> > --
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