Subhanjan Majumder

2 Questions 3 Answers 0 Followers

Questions related from Subhanjan Majumder

I have some problem regarding parametrization of Perchlorate ion in Antechamber.

I have some problem regarding parametrization of Perchlorate ion. I can't generate .frcmod and .mol2 file in antechamber. Can anyone help me regarding this?

01 January 1970 2,039 3 View

RESP charge for Cu2+ ion.

I want to get an RESP charge for Cu2 + ion. Can anyone help me with how to get the RESP charge and to create topological files (mol2 and frcmod) for amber simulation using RESP charge data.

01 January 1970 6,047 2 View