Re: [gmx-users] Get pdb2gmx not to treat the first nucleotide in a chain as 5'

2015-06-22 Thread Mark Abraham
; gromacs.org_gmx-users-boun...@maillist.sys.kth.se] On Behalf Of Justin > Lemkul > Sent: Monday, June 22, 2015 9:39 PM > To: gmx-us...@gromacs.org > Subject: Re: [gmx-users] Get pdb2gmx not to treat the first nucleotide in > a chain as 5' > > > > On 6/22/15 2:36 PM, Pe

Re: [gmx-users] Get pdb2gmx not to treat the first nucleotide in a chain as 5'

2015-06-22 Thread Alex
Peter > > -Original Message- > From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se [mailto: > gromacs.org_gmx-users-boun...@maillist.sys.kth.se] On Behalf Of Justin > Lemkul > Sent: Monday, June 22, 2015 9:39 PM > To: gmx-us...@gromacs.org > Subject: Re: [gmx-users] Get pdb2

Re: [gmx-users] Get pdb2gmx not to treat the first nucleotide in a chain as 5'

2015-06-22 Thread Peter Stern
nt: Monday, June 22, 2015 9:39 PM To: gmx-us...@gromacs.org Subject: Re: [gmx-users] Get pdb2gmx not to treat the first nucleotide in a chain as 5' On 6/22/15 2:36 PM, Peter Stern wrote: > I have a chain of RNA in complex with a protein. > The pdb file is missing the first two nucleo

Re: [gmx-users] Get pdb2gmx not to treat the first nucleotide in a chain as 5'

2015-06-22 Thread Justin Lemkul
On 6/22/15 2:36 PM, Peter Stern wrote: I have a chain of RNA in complex with a protein. The pdb file is missing the first two nucleotides and starts with the third including the PO2 group. pdb2gmx identifies this as the 5' terminal nucleotide and tries to create the topology from rna.rtp usin

[gmx-users] Get pdb2gmx not to treat the first nucleotide in a chain as 5'

2015-06-22 Thread Peter Stern
I have a chain of RNA in complex with a protein. The pdb file is missing the first two nucleotides and starts with the third including the PO2 group. pdb2gmx identifies this as the 5' terminal nucleotide and tries to create the topology from rna.rtp using RA5 as the "residue" type. Thus it doesn