[gmx-users] Reg: Prodrg topology
kmvinoth at gmail.com
Tue Oct 5 07:42:05 CEST 2010
I want to generate a topology file for say decane from prodrg for oplsaa
force field. is it possible?. i get a topology file from prodrg for
gromos96.1 force field and i am able to process it further. when i use the
topology file generated for gromos96.1(from prodrg) for oplsaa i get the
error (during grompp) as atomtype CH3 not found ( as expected, i know why it
happens). hence my question is how to use oplsaa for decane molecule?
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users