Sorry, i have solved the problem...:)
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which should not be the case...
Am i missing something here?
Forcefield i used : MMFF94s
cheers,
Thanasio
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Hi,
I am developing a project with openB. The MMFF94s forcefield does not seem
to pick all the torsions that it should.
I am using the 2.2.0 version...Anybody aware of the issue?
best,
than
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the comment formula wrong or the code in line 6 (3917 in
forcefield.cpp) ?
Cheers,
Thanasio
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ens in a consistent way?
Am i doing something wrong..?
Best,
Thanasio
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I think it's fine. My concern was regarding consistency for debugging
purposes. In case anyone has a similar issue, the workaround is to write the
co-ordinates of the system to test in a file and then override the initial
co-ordinates of the system from this file...:))
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is there any resolution to this? I am running into the same problem in
vs2010. The same code runs fine in ubuntu.
USING_DYNAMIC_LIBS or
#define EXTERN __declspec(dllimport)
has no effect on my code and the problem persists!
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