[gmx-users] question about topolbuild
Hui Wen Ng
ng.huiwen at yahoo.com
Thu Jun 12 16:45:25 CEST 2014
Dear gmxusers,
I have a question about using topolbuild to generate
topology for my ligand (intend to use OPLS AA forcefield).
However, I am facing a problem in using the command, which
according to the README text, requires the basic input as
below
topolbuild -n modelname -dir path_to_interp. -ff
forcefield
I have a ligand.mol2 and I typed in the command as below
topolbuild1_3/src/topolbuild -n ligand -ff oplsaa -dir
topolbuild1_3/dat/gromacs/
I got this error: Segmentation fault
Could anyone helpme with this please? Thanks a lot.
Best,
HW
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