[gmx-users] is there any size limit for simulation in gromacs

Tsjerk Wassenaar tsjerkw at gmail.com
Mon Oct 15 11:20:56 CEST 2007


Hi Anupam,

The problem will more likely be in the computational resources you have :)
Definitely not in Gromacs... (as far as it concerns the feasibility of
simulating a large protein in a membrane).

Cheers,

Tsjerk



On 10/15/07, Anupam Nath Jha <anupam at mbu.iisc.ernet.in> wrote:
>
>
>
> Dear all
>
> i want to go for simulation of a protein of size of around 1000residues
> and then
> there will be lipids also.
> is it feasible or some problem will come.
>
> thanks in advance
> anupam
>
>
>
>
> --
> Science is facts; just as houses are made of stone, so is science is made
> of
> facts; but a pile of stones is not a house, and  a collection of facts is
> not
> necessarily science.
>
> Anupam Nath Jha
> Ph. D. Student
> Saraswathi Vishveshwara Lab
> Molecular Biophysics Unit
> IISc,Bangalore-560012
> Karnataka
> Ph. no.-22932611
>
>
>
> --
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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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