[gmx-users] on HS14 atomtype
sarathchandradantu at gmail.com
Thu May 12 09:04:40 CEST 2016
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.
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?
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