[gmx-users] Incorporate two files in Gromacs

Tsjerk Wassenaar tsjerkw at gmail.com
Sun Aug 26 10:01:04 CEST 2007


Hi Rohit,

You have to have one file. But is that so much trouble?

Tsjerk

On 8/26/07, rohit gole <merohisg at yahoo.co.in> wrote:
> I want to simulate two proteins, so for that is there any process to give
> both files as an input and then fix the initial distance between them on my
> own choice or do I need to make one separate file having both proteins and
> then use this file as an input to GROMACS.
>
> Yang Ye <leafyoung at yahoo.com> wrote:
>  Please explain your purpose more clearly.
>
> On 8/25/2007 9:47 PM, rohit gole wrote:
> > Hi,
> >
> > Is there any way in GROAMCS to incorporate two PDB files separately
> > and then do simulation instead of appending both files to create a
> > single file?
> >
> > If yes, then how the distance can be manipulated between the two
> > proteins from the files?
> >
> > TIA
> >
> > Rohit
> > IIT kanpur
> >
> >
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-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623



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