[gmx-users] MMPBSA & GMXPBSA 2.1

[Tom]

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

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Thanks for the help!

Thomas