I'm trying to calculate the 3d RISM of dna in NaCl with concentration
0.005M. Here is my input file for 3drism:-
rism3d.snglpnt --pdb dnanew.pdb --prmtop dnanew.prmtop --closure kh --guv
dnanew --xvv ../1drism/SPC_NaCl.xvv
after submitting this input file i got a error, here it is that error
Running MME
FATAL: allocation failure in ivector()
I don't know how to correct this error.
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Received on Mon Jul 20 2020 - 10:30:03 PDT
