Re: [gmx-users] Why there is no phosphorous atom in the "DA5" residue in dna.rtp

2020-04-25 Thread Tingguang.S
Thank you Justin! I delete the phosphate group and the problem is resolved ! Best regards Sting From: Justin Lemkul Date: 2020-04-26 00:20:44 To: gmx-us...@gromacs.org Subject: Re: [gmx-users] Why there is no phosphorous atom in the "DA5" residue in dna.rtp> > >On 4/25/20 12:18 PM,

Re: [gmx-users] Why there is no phosphorous atom in the "DA5" residue in dna.rtp

2020-04-25 Thread Justin Lemkul
On 4/25/20 12:18 PM, Tingguang.S wrote: Dear all, When I generated the amber99sb force filed topology of a DNA molecule with gmx, a error code appeared: "Atom P in residue DA 1 was not found in rtp entry DA5 with 30 atoms". I tried to fix this but found there was no P atoms in all the

[gmx-users] Why there is no phosphorous atom in the "DA5" residue in dna.rtp

2020-04-25 Thread Tingguang.S
Dear all, When I generated the amber99sb force filed topology of a DNA molecule with gmx, a error code appeared: "Atom P in residue DA 1 was not found in rtp entry DA5 with 30 atoms". I tried to fix this but found there was no P atoms in all the 5' nucleic acid residues in dna.rtp. Can