[gmx-users] Regarding Topolbuild1_3

Deepali Sharma DeepaliS at dut.ac.za
Fri Apr 24 09:25:46 CEST 2015


I installed topolbuild1_3, ran the following command:

/Desktop/np/topolbuild1_3/src$ ./topolbuild -dir /home/deepali/Desktop/np/topolbuild1_3/src -ff oplsaa -n ZnO -charge

Fatal error.
Source code file: atom_types.c, line: 87
Cannot open file /home/deepali/Desktop/np/topolbuild1_3/src/ATOMTYPE_OPLSAA1.DEF

Unable to find the origin of the error.

Deepali Sharma
Postdoctoral Fellow
Department of Chemistry
Durban University of Technology (DUT)
Durban, SA


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