Dear Amber users,
I'm running a const-pH calculations on a protein with ~100 titratable
groups,
from the previous discussions I know that I have to modified the TITR_RES_C
(max residues)
number in "dynph.h" in AmberTools/src/sander because 100 is higher than the
default max number of titratable groups (=50).
But I am not sure which part should I recompile after making the changes,
only constantph.F90? What's the name I should use for the output
executable?
Thank you in advance for all your help,
Orion
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Received on Mon Oct 03 2016 - 03:00:03 PDT
