[AMBER] NTWR,NTWX, NTPR increases for rest of simulation.

From: Rana Rehan Khalid <rrkhalid.umich.edu>
Date: Thu, 28 Dec 2017 01:47:14 +0500

Dear Amber Users

I already ran the simulation for 20ns which took to much time and file size
is also large due to ntpr=100, ntwx=100, but now i want to increase the
ntpr=1000, ntwx=1000, and ntwr=10000 for the rest 30 ns can I do this? or
is it affected on post dynamics analysis. Kindly guide thanks
AMBER mailing list
Received on Wed Dec 27 2017 - 13:00:02 PST
Custom Search