[AMBER] MMPBSA

From: John S <s.john634.gmail.com>
Date: Thu, 13 Jan 2011 22:22:24 -0500

Dear Amber Users,

I am using MMPBSA_Decomp_Residue

DCTYPE 2
#
COMREC 5-8
COMLIG 1-4
COMPRI 1-8
RECRES 1-4
RECPRI 1-4
RECMAP 1-8
LIGRES 1-4
LIGPRI 1-4
LIGMAP 1-4


It gave me error as /usr/local/apps/amber9/exe/sander -O -i sander_com.in -o
sander_com.1.out -c ./snap_com.crd.1 -p ../../prmtop/poly_1.prmtop not
successful

The specifications LIGPRI, LIGRES and RECPRI , RECRES , do they imply number
of residues or the residue numbers of topology file.

I appreciate your suggestions.

Thanks
John
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jan 13 2011 - 19:30:02 PST
Custom Search