On 2011-12-29, at 10:43 AM, David A Case wrote:
> On Thu, Dec 29, 2011, 민병진 wrote:
>>
>> I have used gnu compiler, mpich2-1.4.1 in cygwin.
>> I have installed rism3D in AmberTools1.5. (rism3d.snglpnt.exe,
>> rism3d.MPI.exe)
>> But I cannot install sander.rism3d/sander.rism3d.MPI.
>
> We don't currently support RISM inside sander; you have to use the AmberTools
> executables mentioned above.
>
Just to follow up, I'm afraid that RISM doesn't work under cygwin. rism3d.snglpnt should not have been built and will provide an error message when you run it. We found that under cygwin both 3D- and 1D-RISM failed a number of tests and I don't have a access to a cygwin machine for development or testing.
Tyler
________________________________________________________________
Tyler Luchko
Postdoctoral Associate
Case Group
BioMaPS Institute
Rutgers University
Piscataway, New Jersey
tluchko.rutgers.edu
732-445-0334
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Received on Thu Dec 29 2011 - 08:30:02 PST
