HI,
GTP parameters are already available from
http://research.bmh.manchester.ac.uk/bryce/amber/.
Please have a look.
Best Regards
On Thu, 15 Aug 2019 at 12:54, Akinpelu Olayinka <akinpelu.olayinka.yahoo.com>
wrote:
> I was trying to run simulation involving GTP but the antechamber for GTP
> has not been running
> The following is the error observed.
>
>
>
> WARNING: atom type of C6 (cd) and C9 (cd) may be wrongTotal number
> of electrons: 268; net charge: -4
>
>
>
>
> Running: /apps/chpc/chem/amber/14/bin/sqm -O -i sqm.in -o sqm.out
>
> Error: cannot run "/apps/chpc/chem/amber/14/bin/sqm -O -i sqm.in -o
> sqm.out" of bcc() in charge.c properly, exit
> Please any help on how to go about it will be appreciated.
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Received on Thu Aug 15 2019 - 01:00:02 PDT
