Re: AMBER FF and pmf

From: Fangqiang Zhu (fzhu_at_ks.uiuc.edu)
Date: Thu May 06 2004 - 18:18:58 CDT

Hi,

When Amber data are read in, Namd assigns a common segment
name "MAIN" to all of the atoms. So you should still be able to
specify an atom by giving [segname, resid, atomname].

Zhu

ladam wrote:

> Hi all,
> I used to apply distance and dihedral user restraints with charmm
> forcefield.
> Now I am switching to AMBER. I was able to generate the prmtop
> and prmcrd files using the NAB software from the case group.
> I have been running MD without restraints and it works
> fine.
> My problem appears when I want to add distance restraints
> as I have no segment name in my prmtop and prmcrd files so
> I can't define an atom.
> Do you have a solution for that?
> Bye and thanks
>
> --
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