[AMBER] problem in creating .mol2 and .frcmod files

From: Vijayalaxmi Sahoo <vlsahoo.rgp.gmail.com>
Date: Mon, 7 Oct 2013 19:18:50 +0530

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.

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Received on Mon Oct 07 2013 - 07:00:06 PDT
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