Re: [AMBER] antechamber problem

From: FyD <fyd.q4md-forcefieldtools.org>
Date: Wed, 23 Apr 2014 08:37:58 +0200

Dear Carlos,

> I try to create inpcrd and prmtop files for sylibinin, I followed steps in
> tutorial number 4. I have checked many times my bonds, atom type, and I
> think everything is ok (I send such file). I have many days trying it,
> even I summit to RED server. without good results. I have executed in my
> computer RED -III.5I tools without results.

I checked your last R.E.D. Server job (you could have tested R.E.D.
Server with Gaussian)... Indeed GAMESS is broken; it looks like we
broke GAMESS in R.E.D. Server when setting R.E.D. Server Development:
We will correct that today... Sorry for that.

I used your PDB file & ran the last version of R.E.D. Server Development:

See:
http://q4mdfft:q4mdfft2012.cluster.q4md-forcefieldtools.org/~ucpublic1/ADF1ADFzoSA-Carlos-Romero/P12882.html

Get the data at:
http://q4mdfft:q4mdfft2012.cluster.q4md-forcefieldtools.org/~ucpublic1/ADF1ADFzoSA-Carlos-Romero/P12882.tar.bz2

all went ok from what I quickly checked...

regards, Francois



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Received on Wed Apr 23 2014 - 00:00:02 PDT
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