Thanks dear David.
I downloaded the prep file, but I could not charge in tleap. I will revise
ambertools manual. Thanks again
Regards ..
El may 13, 2015 12:09 PM, "David A Case" <case.biomaps.rutgers.edu>
escribió:
> On Wed, May 13, 2015, Carlos Romero wrote:
> >
> > Therefore I downloaded from
> > http://www.pharmacy.manchester.ac.uk/bryce/amber/ the frcmod.phos file
> > which contains parameters for ADP and I got the same message.
>
> You need to get both the frcmod file and the prep files, and use those.
> Conversions you made from sdf files (or whatever) don't know about Amber
> atom
> types, so they won't be of much use to you.
>
> ....dac
>
>
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Received on Wed May 13 2015 - 10:30:07 PDT
