On 7/20/13 7:35 AM, afsaneh maleki wrote:
Dear users
To generate a topology file for an arbitrary molecule, I used g_x2top
program.
I added following lines to atomname2type.n2t:
..
..
C opls_145B 0.080627 12.0110 3 C 0.1395 C 0.1395 C 0.149
C opls_145B 0.091698 12.0110 3
Dear users
To generate a topology file for an arbitrary molecule, I used g_x2top
program.
I added following lines to atomname2type.n2t:
..
..
C opls_145B 0.080627 12.0110 3 C 0.1395 C 0.1395 C 0.149
C opls_145B 0.091698 12.0110 3 C 0.149 C 0.1395 C 0.1395
..
But, generate
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