Dear Amber Users,
I tried to run constant pH cuda simulation for more than 50 titratable
residues
and obtained error:
"At line 180 of file constantph.F90 (unit = 18, file =
'0-PAR/receptor.cpin')
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
Maciek
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Received on Wed Sep 11 2019 - 01:00:01 PDT
