Dear Amber Users,
During the generation of force field parameter for the cation of ionic
liquid [bmim][Bf4]
when i checked for cation unit [bmim] i got the error.
Checking 'BMI'....
WARNING: The unperturbed charge of the unit: 0.999998 is not zero.
Warning: Close contact of 0.919992 angstroms between .R<BMI 1>.A<H13 13>
and .R<BMI 1>.A<H14 14>
Warning: Close contact of 1.414309 angstroms between .R<BMI 1>.A<H14 14>
and .R<BMI 1>.A<H15 15>
Warning: Close contact of 0.920024 angstroms between .R<BMI 1>.A<H17 17>
and .R<BMI 1>.A<H18 18>
Warning: Close contact of 0.918835 angstroms between .R<BMI 1>.A<H19 19>
and .R<BMI 1>.A<H20 20>
Warning: Close contact of 0.918828 angstroms between .R<BMI 1>.A<H21 21>
and .R<BMI 1>.A<H22 22>
Warning: Close contact of 0.919628 angstroms between .R<BMI 1>.A<H23 23>
and .R<BMI 1>.A<H24 24>
Warning: Close contact of 1.414254 angstroms between .R<BMI 1>.A<H24 24>
and .R<BMI 1>.A<H25 25>
Checking parameters for unit 'BMI'.
Checking for bond parameters.
Checking for angle parameters.
check: Warnings: 8
I want to know whether this error could be removed by minimization? Thanks
in advance.
Shilpa Gupta
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Received on Mon Oct 30 2017 - 04:00:03 PDT
