Re: [AMBER] a question about resp restraints strength

From: David A Case <>
Date: Thu, 14 Jul 2016 07:26:48 -0400

On Wed, Jul 13, 2016, Bahaa Mostafa wrote:

> i'm trying to get the partial charges for some small molecules, I do not
> have AMBER and I am using the freely downloadable version of resp.

Not sure what you mean by "the freely downloadable version of resp". Resp
is a part of AmberTools16, which is available with no license fee. If you
have problems with that version, try to create a simple example that
illustrates the problem.

> i am failed to compile the whole program so i composed a simpler version
> from the original resp,...

People on the mailing list are not going to be able to offer much debugging
help for a program you wrote yourself.

...good luck....dac

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Received on Thu Jul 14 2016 - 04:30:03 PDT
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