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 that look likely. Mark _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
