AMBER Archive (2002)

Subject: Re: carnal

From: Bill Ross (photoriot_at_yahoo.com)
Date: Fri Dec 06 2002 - 19:16:59 CST

There is no GROUP defined - should be groupid%cmass.
E.g. "GROUP g1 (SOLUTE)" and "g1%cmass"

# CUTRES: list residues within cutoff of group
FILES_IN
  PARM p1 sph20.prmtop;
  STREAM s1 sph20.prmcrd;
FILES_OUT
DECLARE
  CUTRES c1 cmass 14.0;
OUTPUT
END