29 Feb
2012
29 Feb
'12
9:55 p.m.
You're welcome! You may want to doublecheck that the charges were assigned correctly by saving to another mol2 file, or by showing charge values as labels on the structure with the menu "Actions... Label... other" (label with attribute charge) or commands: Command: labelopt info charge Command: label Best, Elaine On Feb 29, 2012, at 1:48 PM, Thomas Evangelidis wrote:
Thank you Elaine for the swift reply! It was straight forward, although the atom names were not identical and had to change them manually.
~Thomas