[gmx-users] question about topolbuild

Hui Wen Ng ng.huiwen at yahoo.com
Wed Jun 11 15:56:50 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.


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