[gmx-users] No access to Gaussian 03

Michael Clark mclark at triprinceton.org
Wed Mar 16 16:58:14 CET 2005

Hello all,

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?

Michael Clark
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