problem with running gmx_MMPBSA pipeline

[Divpreet kaur]

Hi! 

I have been trying to run mmpbsa but not able to setup the pipeline. However, few months back I was able to run it. 

I have been getting errors in ParmEd wheel (image attached).

Please let me know how can i resolve this at earliest as I am really stuck with some deadlines in between.

Any help is direly appreciated.

Regards

Divpreet

[Mario Sergio Valdes]

This problem is related to the compilers package version. Please, make sure you are installing compilers=1.2.0. There are other posts here in the groups about this problem.

Let me know if you need help.

Mario S.

[Justice Mallen]

for the xtc file i extracted only 1 frame and i used charm forcefiled

Kind Regards

Justice J Mallen

justic...@gmail.com

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