HI As Mark described , > "So when you tile these cubes of side length 1.86nm in a 3x3x3 grid, you > over-fill a cube of side length 5nm and get 27 water molecules. Use the > standard water .gro files in the distribution and then minimize and > equilibrate. "
And, how could I find the standard water .gro? Thank you Lin > Here is the 1w.gro > > 216H2O,WATJP01,SPC216,SPC-MODEL,300K,BOX(M)=1.86206NM,WFVG,MAR. 1984 > 3 > 1SOL OW 1 .230 .628 .113 > 1SOL HW1 2 .137 .626 .150 > 1SOL HW2 3 .231 .589 .021 > 1.86206 1.86206 1.86206 _______________________________________________ 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
