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<DIV><FONT size=2>Hello all,</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>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?</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>Michael Clark</FONT></DIV></BODY></HTML>