Missing cphrst file

From: Yasser Bruno Ruiz Blanco (ybruizblanco_at_gmail.com)
Date: Mon May 07 2018 - 07:59:15 CDT


I am using NAMD 2.12 to run constant pH simulations.

Apparently everything run nicely OK except for the fact that the cphrst
file is not saved during the run.

I have used the following keyword expecting to obtain a *.cphrst file after
every cycle:

cphRestartFreq 1

All other files are saved without problem.

Is there a way to build this files afterwards, with the information in the
cphlog file?

Which is the format of this file?

Should this be relevant, I am runing NAMD on a HPC system type OmniPath
(OPA). I needed to compile NAMD form source code. So far I have use this
compilation for regular MD, ABF and metadynamics without problems.


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