Try to use the following: x2top -f SiO2.pdb -o SiO2.top -name SIO2 -ff oplsaa -pbc
-- Dr. Vitaly Chaban http://chaban.at.ua > > Hi, everyone > > I've just tried x2top. > > My ffoplsaa.n2t file is as follows > > ;atom atom_type charge mass neighbor_N neighbor > distance > O opls_002 -0.3 15.9994 2 SI 0.160 SI > 0.160 > O opls_002 -0.3 15.9994 1 SI 0.160 > SI SI 0.6 28.08 1 O 0.160 > SI SI 0.6 28.08 2 O 0.160 O 0.160 > SI SI 0.6 28.08 3 O 0.160 O 0.160 O 0.160 > SI SI 0.6 28.08 4 O 0.160 O 0.160 O 0.160 O > 0.160 > > I entered the command below: > > x2top -f SiO2.pdb -o SiO2.top -name SIO2 -ff oplsaa > > here's my output: > > chen...@chengdi-desktop:~/Gromacs/sio2$ x2top -f SiO2.pdb -o SiO2.top -name -- gmx-users mailing list [email protected] http://lists.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
