[gmx-users] the number of water molecules

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

Re: [gmx-users] the number of water molecules

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