[gmx-users] MMPBSA & GMXPBSA 2.1
andrea.spitaleri at iit.it
Fri Dec 26 11:20:25 CET 2014
please forward your request to the GMXPBSA mailing list:
probably it is a problem about the configuration
On 26/12/2014 08:57, Tom wrote:
> 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!
Andrea Spitaleri PhD
D3 - Drug Discovery & Development
Istituto Italiano di Tecnologia
Via Morego, 30 16163 Genova
cell: +39 3485188790
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