You’re quire right about R.E.D. Server - I was being blind and led astray by the numerous “Cannot run Java applet” security prompts and thus had failed to use it previously.
Thanks,
Kavin
> On 19 Feb 2016, at 17:24, David A Case <david.case.rutgers.edu> wrote:
>
> On Fri, Feb 19, 2016, Abelak, Kavin wrote:
>>
>> I find myself needing to derive charges for some non-standard
>> ligands. I’ve had a brief search through the archives
>> and tutorials, and keep getting referred to tutorial A1
>> (http://ambermd.org/tutorials/advanced/tutorial1/section1.htm). Is this
>> still the currently accepted method for running charge derivations using
>> Gaussian? I only ask as it is dated 2008 and cites Amber 10 (and older).
>
> The standard charge derivation procedure has not changed since forever (i.e.
> since the early 1990's). So the tutorial should still be OK, but be sure to
> read the caveat there (in bold type).
>
>>
>> Another related question is: are there other streamlined methods
>> (similar to R.E.D Tools) that anyone can suggest?
>
> Why not use R.E.D. Tools itself? That is the most popular way, as far as I
> can tell. They maintain a large-ish database that may already have your
> ligand, or something close to it.
>
> ....dac
>
>
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Received on Tue Feb 23 2016 - 08:00:04 PST
