Hi amber users;
I am running into a problem using the restraint option ntr. My script
mdin file has the following lines:
ntr = 1,
RESTRAINT_WT = 0.30,
restraintmask = ' :1-23.CA | :34-47.CA | :56-88.CA | :98-135.CA | :146-160.CA | :168-206.CA | :213-999.CA ',
I get the following error:
Error in group input::atommask.f::pop_evalstack
stack underflow
if I reduce the number of terms in the restraint mask i.e.
restraintmask = ' :1-23.CA | :34-47.CA | :56-88.CA | :213-999.CA ',
Then there is no problem. I'm guessing there is some array length that
needs to be adjusted and the program recompiled. I just need to know
where in the source code is this parameter specified.
Thanks
-Sergio
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Received on Fri Apr 29 2005 - 07:53:00 PDT
