Dear Sir /Ma'am
I want to know how calculate the resp charge. I have followed the tutorial
for understanding of resp charges in amber 16. For calculating the charge i
have used only "*linker part" .*
http://ambermd.org/tutorials/
advanced/tutorial1/section1.htm mentioned in the tutorial.
My Gaussian output ESP charges is same but the resp input file is not same
as like tutorial.i have also attached the input file.
I have created resp input file from using respgen command.
*respgen -i sustiva.ac -o sustiva.respin1 -f resp1*
can you help me for solving this issue.
Regards
Aashish
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Nov 25 2017 - 06:30:01 PST
