[gmx-users] query regarding methanol density

Dilraj Lama dennis at iitk.ac.in
Thu Aug 30 13:58:37 CEST 2007

Hello gmx users,
                I want to perform a simulation study of a peptide solvated
in methanol using Gromacs 3.2.1 package with gromos96 43a1
forcefiled.For the purpose I choose the "methanol.itp" for
the parameters of methanol.I am using the
"methanol216.gro" contributed by Bert de Groot.
                      I have set up system with the peptide solvated in a
cubic methanol box.The density of the sysytem is now
reported to be about 764.677 g/l.My query is, is it
ok for me to perform the simulation with the
mentioned density??

Thank you all.
Dilraj Lama,
Graduate student,
Bioinformatics and Biomolecular Simualtion lab,
Dept. of BSBE;IITK-kanpur,
Uttar pradesh,India-208016.
email:dennis at iitk.ac.in,dilraj2002 at yahoo.com

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