[gmx-users] on HS14 atomtype

[Sarath Chandra]

What command did you use (pdb2gmx/grompp)? You have to check whether your
ligand.itp is referenced in your topol.top for grompp to find the atomtypes
present in your gro.

Regards,

Sarath

-- 
Sarath Chandra Dantu, PhD, ELS
Room No. 606, New BSBE Building
Department of Biosciences and Bioengineering
Indian Institute of Technology Bombay
Powai Mumbai, 400-076, India


On 12 May 2016 at 11:40, Brett <brettliu123 at 163.com> wrote:

> Dear All,
>
> By ADP with 54a7 force field, I got a ligand.itp, which contains atomtype
> HS14. However when I run the md by gromacs with that ligand.itp, it told me
> the "Atomtype HS14 not found".
>
> WIll you please tell me how to make gromacs recognize the atomtype HS14?
>
> Brett
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