Dear all
I tried to use pmemd with nmr restraint (nmropt=1). when i launch pmemd with
nmr restraint, it stop with this error:
Maximum allowable number of restraints ( 6 ) exceeded.
I have more than 30 restraints distances to impose at my system.
I look at the code of nmr_calls.f90. I don't know, how your define value of
this variable.
How can i increase this value easily.
For information : I use amber10 compilate with ifort
Thank you
Marc Guéroult
PhD Student
Inserm U655
Paris, France
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Received on Fri Mar 25 2011 - 11:00:04 PDT
