[AMBER] pmemd and nmr restraint

From: marc gueroult <marc.gueroult.ibpc.fr>
Date: Fri, 25 Mar 2011 18:53:21 +0100

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
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