search

Pallavi-Banerjee21 / votca

Automatically exported from code.google.com/p/votca
0 stars 0 forks source link

csg_inverse: put output of gromacs tools into a separate log file #120

Closed GoogleCodeExporter closed 8 years ago

GoogleCodeExporter commented 8 years ago 
Details can be found on the mailing list:

https://groups.google.com/group/votca/browse_frm/thread/e7f4a69837ea39f7

An option cg.inverse.gromacs.log_file will be added to the setting file.

Original issue reported on code.google.com by christop...@gmail.com on 1 Nov 2011 at 7:14

GoogleCodeExporter commented 8 years ago 
I guess the easiest is to write a function gmx_log, which either does notthing 
or puts the output to the gromacs log file.

Files, which need to be fixed are:
calc_pressure_gromacs.sh + run_gromacs.sh

Original comment by christop...@gmail.com on 21 Dec 2011 at 11:36

GoogleCodeExporter commented 8 years ago 
This issue was closed by revision c51db2b7cc76.

Original comment by jungh...@votca.org on 9 May 2012 at 5:10