On Sat, May 5, 2012 at 7:27 PM, Za Pour za.p...@yahoo.com wrote:
Dear gmx users
I am simulation a system including carbon nanotube+water.I have done these
things:
However as I looked into the nvt.gro I realized that the cylindrical shape
of carbon nanotube
has been changed.I am not sure
Dear gmx users
I am simulation a system including carbon nanotube+water.I have done these
things:
1. I copied oplsaa.ff folder in my working directory
2. I added following lines to atomname2type.n2t
C opls_995 0 12.011 2 C 0.142 C 0.142
C opls_996 0 12.011 3 C
On 5/5/12 1:27 PM, Za Pour wrote:
Dear gmx users
I am simulation a system including carbon nanotube+water.I have done these
things:
1. I copied oplsaa.ff folder in my working directory
2. I added following lines to atomname2type.n2t
C opls_995 0 12.011 2 C 0.142 C 0.142
C opls_996 0 12.011 3
3 matches
Mail list logo