Dear Justin,
Thank you very much your help.
Best regards,
Miji
> --
>
> Message: 2
> Date: Tue, 23 Jan 2018 06:44:59 -0500
> From: Justin Lemkul
> To: gmx-us...@gromacs.org
> Subject: Re: [gmx-users] Atom OT1 in the residue
> Message-ID:
On 1/23/18 1:59 AM, Мижээ Батсайхан wrote:
Dear gmx user,
I am using gromacs 5.1 with charmm36-march2017 force field. I have an error
as following:
"Atom OT1 in residue DTRP 4 was not found in rtp entry DTRP with 24 atoms
while sorting atoms."
How can I fix this error?
Additionally, I modif
On Tue, 23 Jan 2018 at 3:59 PM, Мижээ Батсайхан
wrote:
> Thank you for your answer. I modified the L-TRP structure to D-TRP
> structure, and the last version of charmm36 contains a topology of D-TRP. I
> used that one.
Check for the naming of OT1 in the residue topology database of Dtrp
>
> T
Thank you for your answer. I modified the L-TRP structure to D-TRP
structure, and the last version of charmm36 contains a topology of D-TRP. I
used that one.
Thanks.
> > Dear gmx user,
> >
> > I am using gromacs 5.1 with charmm36-march2017 force field. I have an
> error
> > as following:
> >
>
On Tue, Jan 23, 2018 at 12:29 PM, Мижээ Батсайхан
wrote:
> Dear gmx user,
>
> I am using gromacs 5.1 with charmm36-march2017 force field. I have an error
> as following:
>
> "Atom OT1 in residue DTRP 4 was not found in rtp entry DTRP with 24 atoms
> while sorting atoms."
>
> How can I fix this er
Dear gmx user,
I am using gromacs 5.1 with charmm36-march2017 force field. I have an error
as following:
"Atom OT1 in residue DTRP 4 was not found in rtp entry DTRP with 24 atoms
while sorting atoms."
How can I fix this error?
Additionally, I modified the structure of last DTRP residue from the