[gmx-users] MMPBSA & GMXPBSA 2.1

Tom dnaafm at gmail.com
Fri Dec 26 08:57:26 CET 2014

Dear GXM Users,

Is there anyone who has the experience of GMXPBSA 2.1?

I download the package and DEMO and gave a quick test of DEMO.
There is always a Error report for all the 3 Examples in the DEMO.

e.g. for the Example 1
Setting the PBS queque variables

01:49:50 Generating the centered PDB structures in P53...
 ERROR: I could not find _comp0.pdb in
/home/user1/Research/Software/DEMO/EXAMPLE1/P53. Exiting...


Thanks for the help!


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