[gmx-users] Onsager coefficients

[David van der Spoel]

Den 2018-09-15 kl. 19:04, skrev Behnam Ghalami:
> Dear all
> Is there any syntax to calculate Onsager coefficients using Gromacs? if
> not, how can I export  trajectory of molecules' mass center through  gmx
> trjconv?
> 
> Thanks in advance
> 
use
gmx traj

-- 
David van der Spoel, Ph.D., Professor of Biology
Head of Department, Cell & Molecular Biology, Uppsala University.
Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
http://www.icm.uu.se