[gmx-users] inter molecular distance restraints?

syma syma.khalid at bioch.ox.ac.uk
Tue Apr 11 16:08:53 CEST 2006

Thank you for your 30 seconds.
I guess what I was getting as, is there anything I should be aware of when
applying distance restraints (known problems etc) that would have saved me
making common mistakes.

The gromacs manual is good, I would hesitate before saying wonderful....

Thanks anyway,


-----Original Message-----
From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org]
On Behalf Of Mark Abraham
Sent: 11 April 2006 14:48
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] inter molecular distance restraints?

> Hi,
> I was just wondering if is possible, in gromacs to apply distance
> restraints
> between molecules. So I have two ligands (part of the same complex) that I
> would like to keep together, even though they are not actually bonded
> together.

gromacs has a wonderful manual, in which there is a detailed section on
distance restraints. You having a quick look at the table of contents
would have saved 30 seconds of my life... I am sounding nicer about this
than I feel! :-)


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