[gmx-users] Charmm to gromacs
likhonnaser at hotmail.com
Fri Aug 8 11:11:04 CEST 2014
I took the following from Mark's script to convert non-bonded parameters of ZN manually:
printf("% 5s %f 0.0 A %.4g %.4g\n", $atom, $element_mass, 2*$four_epsilon * $sigma**6, $four_epsilon * $sigma**12);
I am getting:
Am I missing anything?
I would appreciate your respond.
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