I would also go with the suggested parameters
Though just for curiosity, did you specify the correct net charge (-nc -4, if this is the correct charge of your structure) when using antechamber? If your structure is supposed to be charge neutral and you get this complaint, then potentially there is something wrong with the structure (potentially with the protonation state). I am assuming you are inputting a pdb file into antechamber, trying to get prep and framed files.
// Gustaf
> On 15 Aug 2019, at 09:21, 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 - 01:30:02 PDT
