[AMBER] constant pH error

From: Kolattukudy P. Santo <santotheophys.gmail.com>
Date: Wed, 16 Sep 2020 23:18:13 -0400

Hello all
I defined and parameterized some new titratable residues in
explicit solvent for the cpHMD run. They running fine, but some combination
of them ( into oligomers ) giving me error
At line 167 of file constantph.F90 (unit = 23, file = 'jbl2.cpin')
Fortran runtime error: Cannot match namelist object name 0.083403
If A ,B,C are the residues, then A-B-C  gives error, while A-B, B-C etc
work fine.
This is a strange error that I could not understand. Please advise, how to
resolve this.
Thanks a lot
KP Santo
Dr. Kolattukudy P.  Santo
Post doctoral Associate
Department of Chemical and Biochemical Engineering
Rutgers, The State University of New Jersey
New Brunswick, New jersey
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Received on Wed Sep 16 2020 - 20:30:03 PDT
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