Dear all,
How can I calculate the number of water molecules around the
protein with a distance about 5 angstrom? Is that possible in
Gromacs?
Best regards,
2008-4-20
=
Dechang Li, PhD Candidate
Department of Engineering Mechanics
Tsinghua Univ
Dechang Li wrote:
> Dear all,
>
> How can I calculate the number of water molecules around the
> protein with a distance about 5 angstrom? Is that possible in
> Gromacs?
Probably. Check out the list of tools in section 7.4 of the manual and
then look at the output of the -h flag for tools
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