[gmx-users] about pressure coupling

Osmany Guirola Cruz osmany.guirola at biocomp.cigb.edu.cu
Mon Feb 7 22:26:39 CET 2011


I have the following doubts about position restrain mdp file: 

Position restraint should be done with pressure coupling? 

Would you recommend a number of nsteps when doing position restraint,
for example for a protein having 600 aminoacids? 

Thanking in advance, 
Osmany




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