[gmx-users] OPLS atom types for THF simulations

[Jussi Lehtola]

Hi,


I noticed that Jorgensens' group has done tetrahydrofuran (THF)
simulations with OPLS-AA. However, I haven't been able to figure out the
correct atom types & charges from the GROMACS topology files, by
googleing or from Jorgensen's papers. If someone could send me a working
THF OPLS-AA topology I'd very much appreciate it.
-- 
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Jussi Lehtola, FM, Tohtorikoulutettava
Fysiikan laitos, Helsingin Yliopisto
jussi.lehtola at helsinki.fi, p. 191 50632
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Mr. Jussi Lehtola, M. Sc., Doctoral Student
Department of Physics, University of Helsinki, Finland
jussi.lehtola at helsinki.fi
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