Re: constrained simulation

From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Fri Oct 27 2006 - 11:15:04 CDT

That depends on what you are trying to accomplish.

This question can be answered logically by just thinking about it.
What do you think the solution is?

On Oct 27, 2006, at 3:32 AM, Dhiraj Srivastava wrote:

> Hi all
> I want to constrain the position of my protein atoms during
> equilibration and for that i need to specify the constraint
> reference file. should i write the constraint reference file from
> the restart.coor file of previous simulation or should it be the
> original pdb file from which i am doing my simulation?
>
> thanks for advice.
>
> --
> Dhiraj Kumar Srivastava
> Department of Chemistry
> University of Missouri-Columbia
> MO, 65211
>

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