AMBER Archive (2005)Subject: AMBER: Can constant pH be used for minimization?
From: Kenley Barrett (kenley.barrett_at_gmail.com)
Date: Fri Jun 10 2005 - 16:34:41 CDT
Dear Amber users,
I just did a minimization of a large protein in which I tried to run
constant pH; the minimization appeared to work fine but the .cpout
file was empty and the .cprestrt file was never generated. Is constant
pH for molecular dynamics runs only?
Thanks for your help,
Kenley
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
|