[AMBER] Umbrella Sampling at constant pH using amber 22

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From: Dulal Mondal via AMBER <amber.ambermd.org>
Date: Thu, 27 Oct 2022 22:49:56 +0530

Dear Users,
I am running Umbrella Sampling at constant pH. I found the following error.

"At line 233 of file /home/dulal/amber22_src/src/pmemd/src/constantph.F90
(unit = 23, file = 'amber.cpin')
Fortran runtime error: Cannot match namelist object name 'residue:"

The cpin file is attached below. I generated the cpin file using amber 18.
Can any one help me?

With regards,
Dulal Mondal

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application/octet-stream attachment: amber.cpin

Received on Thu Oct 27 2022 - 10:30:02 PDT