Re: nmr and positional restraint in input

From: Christoph Brockmann <>
Date: Thu 10 Oct 2002 11:12:49 +0200 (MEDT)

Hi Peter,

since the positional restraints are give via the group definitions and the
while nmr-restraints are given via &rst statements, you can simply use
 ntr=1, nmropt=1,

you can also put the nmr-restraints in a file on its own

Hope this helps,

Christoph Brockmann
Forschungsinstitut fuer molekulare Pharmakologie (FMP)
Robert Roessle Str. 10
D-13125 BERLIN, Germany
phone: +49-30-94793-223

On Wed, 9 Oct 2002, Peter Varnai wrote:

> Dear Amber users,
> There was a thread a while ago which implied that it is
> possible to give both restraint definitions (nmropt=1 and ntr=1)
> in the input file. What is the correct syntax for that?
> Thanks,
> Peter Varnai
Received on Thu Oct 10 2002 - 02:12:49 PDT
Custom Search