On 10/3/19 8:57 PM, Mijiddorj B wrote:
Dear Justin,
Thank you very much for your prompt response.
Do you mean that I made a mistake when I define the bonds in .rtp file?
Yes.
-Justin
--
==
Justin A. Lemkul, Ph.D.
Assistant Professor
Dear Justin,
Thank you very much for your prompt response.
Do you mean that I made a mistake when I define the bonds in .rtp file?
Best regards,
Mijiddorj
> --
>
> Message: 6
> Date: Thu, 3 Oct 2019 15:47:13 -0400
> From: Justin Lemkul
> To: gmx-us...@gromacs.org
On 10/3/19 11:56 AM, Mijiddorj B wrote:
Dear GMX experts,
I am trying to prepare CHARMM36 parameter for non-standard amino acid using
some instructions such as
http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field
and
the user manual.
After I modified merged.rtp,
Dear GMX experts,
I am trying to prepare CHARMM36 parameter for non-standard amino acid using
some instructions such as
http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field
and
the user manual.
After I modified merged.rtp, merged.hdb, and residuetype.data files,