subject:"\[gmx\-users\] CNT topology"

Re: [gmx-users] CNT topology

2011-02-24 Thread Justin A. Lemkul

sara wrote: Dear All Users I am beginner to GROMACS. I want to simulate CNT in water. I made pdb file by VMD and then made .gro by "editconf -f file.pdb -o file.gro -box 4" command. then for made topology file, I use .n2t itp, .itp, .rtp, ff.dat, and by "x2top -f file.gro -o topol.top -ff

[gmx-users] CNT topology

2011-02-24 Thread sara

Dear All Users I am beginner to GROMACS. I want to simulate CNT in water. I made pdb file by VMD and then made .gro by "editconf -f file.pdb -o file.gro -box 4" command. then for made topology file, I use .n2t itp, .itp, .rtp, ff.dat, and by "x2top -f file.gro -o topol.top -ff cnt_oplsaa -nam