Hi,
I get the following error message when trying to run explicit solvent CpHMD on GPUs:
-------------------------------------------------------
Amber 14 SANDER 2014
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| PMEMD implementation of SANDER, Release 14
[...]
CUDA (GPU): Implementation does not support constant pH MD in explicit solvent.
Input errors occurred. Terminating execution.
I am using the Amber 14 version of pmemd.cuda that supports CpHMD in explicit solvent, so I have no idea where the error is coming from. I've tried modifying my input file's parameters but am still getting this error.
I appreciate all suggestions you may have about what might be the problem or how to fix it.
Thank you,
Diego Garrido Ruiz.
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Received on Wed Nov 12 2014 - 12:00:03 PST
