[gmx-users] Harmonic distance restraint during simulation

[Manoj Kumar Singh]

  What if I want to restrain distance between two different molecules. I
tried this and getting error. I looked at some previous posts and didn't
find any solution to this. Some of them say it is limitation of Gromacs.

  Is there any way I can put distance restraint between atoms of two
different molecules?

Thanks in advance!

Manoj


Manoj Kumar Singh wrote:
> Hi,
>
> I want to put distance based restrain between few pairs of atoms during
> initial dynamics (along with Lincs on hbonds). I don't know how can I do
> this.
>

Section 4.3.4 of the manual is probably a good start.

-Justin

> I will highly appreciate any suggestion.
>
> Manoj
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--
========================================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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-- 
Manoj Kumar Singh
Graduate Student/Teaching Assistant
Department of Chemistry, Clemson University
Hunter Laboratories Clemson, SC 29634
mksingh at CLEMSON.EDU