[gmx-users] using more processors for g_mindist
aiswarya.pawar at gmail.com
Wed Feb 29 08:01:57 CET 2012
Right now am computing distance between each protein atom against all water
atoms, which is taking too long for 5ns run. i cant reduce the frames
either the number of water atoms. So is there any alternate.
On Wed, Feb 29, 2012 at 12:27 PM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:
> On 29/02/2012 5:17 PM, aiswarya pawar wrote:
> Dear all,
> Am running g_mindist on large number of atoms, i would like to know
> whether i can run this on more than one processors say 8 processors to
> speed up the task?
> No. If it will take too long, you need to reduce your number of frames
> (trjconv), or the number of atoms (also trjconv), or some such.
> and will this effect the output in anyways.
> Aiswarya B Pawar
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Aiswarya B Pawar
Indian Institute of Science
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