[gmx-users] dmso/peptide simulation
prasun30 at gmail.com
Tue Aug 19 10:08:36 CEST 2008
I am using the forcefield 43a2
option number 2 ie improved alkane dihedrals and i am using the same
dmso.gro and dmso.itp file that is given in the share/top file of
gromacs.but it is also right that the atom names are not matching in rtp
I tried by replasing SDmso by SD in rtp file its not working again.........
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