Dear Dheeraj
Probably reason is if the file showed like
MASS
BOND
ANGLE
DIHED
Then the force filed parameter is already available in gaff2.
You just upload your mol2 or prepi file and then gaff2 file.
Regards
Aashish Bhatt
On Thu, May 17, 2018 at 5:33 PM, DHEERAJ CHITARA <rs138.iiita.ac.in> wrote:
> Dear Amber Users,
>
> For the protein ligand molecule preparation parmchk2 generates empty frcmod
> file which having no information about MASS,
> BOND, ANGLE, DIHE, IMPROPER, NONBON for PEG
> <https://www.rcsb.org/ligand/PEG> ( DI(HYDROXYETHYL)ETHER ).
> So how can I further proceed and go about adding the values manually for
> further steps necessary to carry out protein ligand preparation.
>
>
>
> --
> ----
> Dheeraj Chitara
> Research Scholar,
> 4315, High Performance Computing Lab.
> Computer Center-2,
> Indian Institute of Information Technology,
> Allahabad - 211015
> India.
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu May 17 2018 - 05:30:04 PDT
