AMBER Archive (2004)

Subject: AMBER: frcmod_dmso

From: Vincent Bisetty (bisettyk_at_dit.ac.za)
Date: Fri Oct 01 2004 - 16:21:42 CDT

Dear Colleagues,
I am trying to use tleap to solvate my peptide in DMSO. I edited leaprc
as indicated on page 29 of the AMBER 8 manual, and the following error
appears....
;;;;;;;;;
Loading parameters: /usr/local/amber8/dat/leap/parm/frcmod.dmso
Reading force field mod type file (frcmod)
solvateBox: Argument #2 is type String must be of type: [unit]
usage: solvateBox <solute> <solvent> <buffer> [iso] [closeness]
Checking Unit.
Building topology....etc...
;;;;;;;;;
I downloaded the frcmod_dmso file from the amber website-see attached.
Any suggestions would be greatly appreciated.
regards
vincent

Dr K Bisetty
Senior Lecturer
Department of Chemistry
Steve Biko Campus
Durban Institute of Technology
P O BOX 1334
Durban
4000
Tel : +27-031-2042311
Fax : +27-031-2022671
"ND-4-SPD"
bisettyk_at_dit.ac.za

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