subject:"\[gmx\-users\] help with building DNA in gromacs"

Re: [gmx-users] help with building DNA in gromacs

2013-01-23 Thread יוכבד

Hi Steven I'm running simulations on DNA structures using the amber99sb-ildn FF. I had no problem generating .top and .gro files I might be able to help if you are interested. send me the PDB file. Yocheved On Sun, Jan 20, 2013 at 10:57 PM, Tom dna...@gmail.com wrote: Dear Gromacs User I

Re: [gmx-users] help with building DNA in gromacs

2013-01-20 Thread Justin Lemkul

On 1/20/13 3:57 PM, Tom wrote: Dear Gromacs User I built DNA with the pdb file and *mol2 But when I used pdb2gmx to obtain *top file, pdb2gmx give error report when I chose charmm27: --- Program pdb2gmx, VERSION 4.5.5 Source code file: resall.c, line: 581 Fatal error: