[gmx-users] Re: crystal waters

Marc Bruning bruning at mpghdb.desy.de
Thu Jun 24 14:06:28 CEST 2004


i have tried different ways to keep track of crystal waters in a gromacs
simulation. but i always loose them because they are mixed with the
solvent added to the protein. is there a specific way to add crystal
waters, so they are treated seperately from the rest of the solvent?

thanks for any help,
marc bruning

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