Hi how many water molecules used to run MD? what is the criteria for this?
I found some water.gro including 216 or 512 water molecules. Is it enough to include 216 or 512 water molecules only in MD system? For TIP4P; there are 4 coordinates to determine a water molecule. For TIP5P; there are 5 coordinates to determine a water molecule. If I want to include more than 1000 TIP4P or TIP5P water molecules in my MD system, how could I construct the TIP4P.gro and TIP5P.gro files ? Thank you Lin _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
