I am working in CentOs release 6.4. I tried creating .mol2 and .frcmod
files for bmim molecule from the commands given in the antechamber 1.27(
AMBER tutorials) but the data(charges) which i got is not at all matching
with those given in the tutorial. The charges for .mol2 file i got are
different from those in tutorial and for .frcmod files the number of
impropers are different.
so kindly tell me how to how to get the correct this problem.
Thanks
Vijayalaxmi
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Received on Mon Oct 07 2013 - 07:00:06 PDT
