Hi,
I am using forcite module and drieding forcefield to optimize some structures with qeq as the charge assigning method. Since this doesn't give me the accurate charges, I tried to modify qeq parameter file ( atomic radii) and ran in to few problems.
1) When I create a new parameter file MS says it cannot open and read the file.
2) When I modified the exsisting parameter file, I got the charges similar to original parameter file. So it seems like nothing has changed.
How can I modify these parameter files?
Thank you
I am using forcite module and drieding forcefield to optimize some structures with qeq as the charge assigning method. Since this doesn't give me the accurate charges, I tried to modify qeq parameter file ( atomic radii) and ran in to few problems.
1) When I create a new parameter file MS says it cannot open and read the file.
2) When I modified the exsisting parameter file, I got the charges similar to original parameter file. So it seems like nothing has changed.
How can I modify these parameter files?
Thank you
