Re: [gmx-users] No automatic terminus detection

On 9/12/2011 12:55 AM, Matthias Ernst wrote: Hi Mark, thanks for your reply. [...] > It knows that termini have to be different from mid-chain residues. [...] That answers my question, I think. I wanted to ask if it's possible to just use whatever residue name is given without detection ofend

Re: [gmx-users] No automatic terminus detection

Hi Mark, thanks for your reply. [...] > It knows that termini have to be different from mid-chain residues. [...] That answers my question, I think. I wanted to ask if it's possible to just use whatever residue name is given without detection ofend- or midchain residues. I guess you answer te

Re: [gmx-users] No automatic terminus detection

On 8/12/2011 9:40 PM, Matthias Ernst wrote: Hi, I try to simulate DNA or better parts of a long DNA double-helix. Therefore, the system I use is not "correctly" terminated at the ends from chemical point of view with OH-groups but rather cut out the longer helix. Nevertheless, all residues ar

[gmx-users] No automatic terminus detection

Hi, I try to simulate DNA or better parts of a long DNA double-helix. Therefore, the system I use is not "correctly" terminated at the ends from chemical point of view with OH-groups but rather cut out the longer helix. Nevertheless, all residues are named correctly, all atoms needed in the r