[gmx-users] gromacs 4.6.4 version - nvt equilibration error

Mark Abraham mark.j.abraham at gmail.com
Fri Nov 22 16:15:21 CET 2013


On Nov 21, 2013 7:20 AM, "vansh" <vsharma at imtech.res.in> wrote:
>
> i think the problem is with using space  only ..as when i am trying with
1ns
> simulations nvt equilibration step completes successfully whereas for 10
ns
> its showing space error..

That cannot be the only difference between your attempted runs, sorry.

> secondly i have installed the software using sudo
> make install command ..dont have an access to the directory but the given
> directory shows me 974 Gb space..

I don't understand how this relates to the mdrun that you are able to use.

Mark

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