AMBER Archive (2008)

Subject: AMBER: respgen -a charge groups function ineffective unless

From: Grange Hermitage (ghermitage_at_gmail.com)
Date: Sat Aug 02 2008 - 00:00:29 CDT

Hi,

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?

Ta,
   John.

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