Re: [gmx-users] Atom OT1 in the residue

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 <jalem...@vt.edu> > To: gmx-us...@gromacs.org > Subject: Re: [gmx-users] Atom OT1 in the resi

Re: [gmx-users] Atom OT1 in the residue

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

Re: [gmx-users] Atom OT1 in the residue

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

Re: [gmx-users] Atom OT1 in the residue

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: > > >

Re: [gmx-users] Atom OT1 in the residue

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." >

[gmx-users] Atom OT1 in the residue

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