Mark, 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.
Thanks On Wed, Feb 29, 2012 at 12:27 PM, Mark Abraham <mark.abra...@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. > > Mark > > > and will this effect the output in anyways. > > Thanks, > > -- > Aiswarya B Pawar > > > > > > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- Aiswarya B Pawar Project Assistant, Bioinformatics Dept, Indian Institute of Science Bangalore
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