[gmx-users] Re: High density after NPT

zugunder schlecht at mail.ru
Thu Dec 20 20:47:07 CET 2012

Could it be, say, because of still big conformational changes of the protein?
The size of the system is not that small: the protein is hydrated with 10921
water molecules.

What are the variations of pressure and density that could be tolerated at
this step?

Thank you.

View this message in context: http://gromacs.5086.n6.nabble.com/High-density-after-NPT-tp5003950p5003974.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.

More information about the gromacs.org_gmx-users mailing list