[gmx-users] question

s.ghasemlou s.ghasemlou at ut.ac.ir
Wed Mar 14 22:12:01 CET 2018

Hi all 

I performed a 100 ps run for npt step but the average pressure hadn't
got the desired value. I continued the NPT for more 50 ps but the
average pressure got higher.is it right to extend an equilibration run?
or we can only extend md runs? 


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