AMBER: respgen -a charge groups function ineffective unless

From: Grange Hermitage <>
Date: Sat, 2 Aug 2008 14:30:29 +0930


Using the -a input option for respgen in AmberTools to define charge groups:
you must remove the blank line before the charge groups in the generated
.respin1 or .respin2 file or the charge group definitions are ineffective.

Could the prepgen matter I mentioned yesterday and this respgen one be
placed on a bug list?


The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
Received on Sun Aug 03 2008 - 06:07:59 PDT
Custom Search