From: Dhiraj Srivastava (dhirajks_at_gmail.com)
Date: Wed Sep 06 2006 - 19:45:59 CDT
I was searching for the topology and parameter files for tetra
hydrofuroic acid and i got topology file for methyl tetra hydro furan in the
file topology/c32b1/toppar/stream/toppar_all27_na_model.str downloaded from
I have just replaced methyl group with carboxyl group and created the
topology file for tetrahydro furoic acid. i am using parameter file
par_all27_na.prm, also downloaded from same website but getting error
message that no parameters for CN8-ON6 bond. which parameter file should i
use for my new topology file of tetrahydrofuroic acid.
thanking you in advance for your help.
-- Dhiraj Kumar Srivastava Department of Chemistry University of Missouri-Columbia MO, 65211 Ph. no. 001-573-639-0153
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