[gmx-users] conversion to tip5p
ddubov at ngs.ru
Fri Jun 5 12:54:40 CEST 2009
Using gromacs 3.3 I try to work with tip5 water, but I fail to convert water molecules of gro-file to tip5 kind. Conversion to tip4p from spc is easy with pdb2gmx
pdb2gmx -f my_spc.gro -water tip4p -o my_tip4.gro -p my_tip4.top
, but when I apply similar command for tip5p, the output gro-file contains only four-point water molecules.
Could anyone help me?
Dmitri mailto:ddubov at ngs.ru
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