[gmx-users] TOP file conversion

Andy Chao achao at energiaq.com
Wed Jul 2 06:27:27 CEST 2014

Dear GROMACS Users:

I would like to convert a GRO file to the TOP file.  Is it a better way to
pdb2gmx -f device.gro -p device.top

or to use

g_x2top -f device.gro -ff oplsaa -o device.top?

Thanks a lot!


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