AMBER Archive (2004)

Subject: AMBER: shake option in sander

From: Lishan Yao (yaolisha_at_msu.edu)
Date: Wed May 12 2004 - 08:32:48 CDT

Dear users:
   I get a quick question about shake in sander. When I set NTC equal to
1, SHAKE is not performed for everything in the system? or just the
solute but not the water molecules?

Best,
Lishan

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