[gmx-users] No access to Gaussian 03
mclark at triprinceton.org
Wed Mar 16 16:58:14 CET 2005
The UNIX machine that I have access to does not have Gaussian 03 to do the quantum mechanical calculations. We do have a PQS program of some sort that came with our machine, but it has a completely different interface. I am not experienced at all with C, so reconfiguring GROMACS to work with this software is impossible. How do I find out if someone else already was able to configure GROMACS to work with my PQS software? Or are there any other versions of GROMACS that use an open-source quantum mechanics program?
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