[AMBER] Regarding Resp charge

From: Aashish Bhatt <aashish.ph16221.inst.ac.in>
Date: Sat, 25 Nov 2017 19:48:09 +0530

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.



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Received on Sat Nov 25 2017 - 06:30:01 PST
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