[AMBER] CpHMD and Umbrella sampling

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From: Dulal Mondal via AMBER <amber.ambermd.org>
Date: Sat, 15 Oct 2022 11:25:49 +0530

Dear Users,

I am running a CpHMD simulation in explicit solvent. At pH 7.0 I am running
Umbrella Sampling.
I found the following errors.
"At line 167 of file constantph.F90 (unit = 23, file = 'prod50.cpin')
Fortran runtime error: Repeat count too large for namelist object
chrgdat".

The "cpin" file are attached

Thanking you
with regards,
Dulal Modal

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application/octet-stream attachment: prod50.cpin

Received on Fri Oct 14 2022 - 23:00:02 PDT