[gmx-users] membrane protein

[Jochen Hub]

Eric Jakobsson wrote:
> npt, but permit the box to change dimensions independently in the 
> three directions in response to that component of the virial.
Does it really matter whether one uses semiisotropic p-coupling or 
independent coupling in x and y? Are there any examples where 
semiisotopic p-coupling yields wrong results?

Jochen

>
> At 11:43 AM 12/16/2007, you wrote:
>> Dear User
>> I am starting a membrane simulation. Is it advisablr to complete all 
>> runs in npt or nvt?
>> Pragya Chohan
>>  
>>
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>
> ---------------------------------
> Eric Jakobsson, Ph.D.
> Professor, Department of Molecular and Integrative Physiology, and of 
> Biochemistry, and of the Center for Biophysics and Computational Biology
> Senior Research Scientist, National Center for Supercomputing Applications
> Professor, Beckman Institute for Advanced Science and Technology
> 3261 Beckman Institute, mc251
> University of Illinois, Urbana, IL 61801
> ph. 217-244-2896  Fax 217 244 9757 
>
>
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-- 
************************************************
Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de
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