[AMBER] Restart of MMPBSA

From: Osman, Roman <roman.osman.mssm.edu>
Date: Tue, 28 Jul 2015 18:09:29 +0000

Hello AMBER experts,

Is there a way of restarting a MMPBSA calculation that ran out of time.
I see files like _MMPBSA_restrt.0
Could they be used to restart the calculation?

Thanks for your help,

Roman Osman
Department of Structural and Chemical Biology
Mount Sinai School of Medicine
New York, NY 10029
Tel: 212-659-8627
Fax: 212-849-2456
e-mail: roman.osman.mssm.edu<mailto:roman.osman.mssm.edu>

AMBER mailing list
Received on Tue Jul 28 2015 - 11:30:02 PDT
Custom Search