[gmx-users] Problem with setting vsite=aromatics on OPLSAA

DimitryASuplatov genesup at gmail.com
Tue Nov 4 14:36:19 CET 2008


Hello,
when I run the following command:

pdb2gmx -f 1klc.192722.pdb -o 1klc.192722 -p 1klc.192722 -vsite
aromatics

the progran starts generating topology but in the end I get
"Segmentation fault". No notes, no warnings though.

Is it possible to use dummy aromatics with OPLSAA?

Thanks
SDA




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