[gmx-users] Re: gmx-users Digest, Vol 115, Issue 16

, Stephanie On 11/4/13 1:29 PM, Stephanie Teich-McGoldrick wrote: Dear all, I am using gromacs 4.6.3 with a triclinic box. Based on the manual and mail list, it is my understanding that the default box shape in gromacs in a triclinic box. Can I assume that all the analysis tools also work

[gmx-users] Analysis tools and triclinic boxes

Dear all, I am using gromacs 4.6.3 with a triclinic box. Based on the manual and mail list, it is my understanding that the default box shape in gromacs in a triclinic box. Can I assume that all the analysis tools also work for a triclinic box. Cheers, Stephanie -- gmx-users mailing list

Subject: Re: [gmx-users] Issue with domain decomposition between v4.5.5 and 4.6.1

v4.5.5 and 4.6.1 To: Discussion list for GROMACS users gmx-users@gromacs.org Message-ID: 516bd18d.8000...@vt.edu Content-Type: text/plain; charset=ISO-8859-1; format=flowed On 4/14/13 11:23 PM, Stephanie Teich-McGoldrick wrote: Dear all, I am running a NPT simulation of 33,534 tip4P waters

[gmx-users] Issue with domain decomposition between v4.5.5 and 4.6.1

Dear all, I am running a NPT simulation of 33,534 tip4P waters, and I am using domain decomposition as the parallelization scheme. Previously, I had been using Gromacs version 4.5.5 but have recently installed and switched to Gromacs version 4.6.1. Using Gromacs 4.5.5 I can successfully run my