[AMBER] titratable residues cuda

From: M. Pyrka <maciej.pyrka.uwm.edu.pl>
Date: Wed, 11 Sep 2019 09:27:35 +0200

Dear Amber Users,

I tried to run constant pH cuda simulation for more than 50 titratable
and obtained error:

"At line 180 of file constantph.F90 (unit = 18, file =
Fortran runtime error: Cannot match namelist object name 'residue:"

and I did replacement in TITR_RES_C variable (for all file containing
this variable) to higher value followed by recompilation.
It didn't work.

I would be grateful for any hints

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Received on Wed Sep 11 2019 - 01:00:01 PDT
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