[gmx-users] Position Restraint - Effect on barrostat

Rahul Godawat godawr at rpi.edu
Fri Jul 15 00:25:20 CEST 2005


Hi all,
 
I am a beginner in using gromacs, does anybody know the effect of
position restraint on application of barrostat. ? My force constant for
position restraint is 10,000 kJ/mol/nm in all three (x,y and z
directions). How can I use barrostat with this.
 
Thanks and Regards,
 
Rahul
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