Re: [gmx-users] conversion to tip5p

Dmitri Dubov wrote: Hi, all 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 c

Re: [gmx-users] conversion to tip5p

2009/6/5 Dmitri Dubov > Hi, all > > > 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 > Does it really con

[gmx-users] conversion to tip5p

Hi, all 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