Re: [gmx-users] Re: disulfide bridge broken during EM

2011-03-10 Thread Justin A. Lemkul
Anna Marabotti wrote: Dear Justin, thank you very much. Yes for sure bonds do not "break" during EM (I should have better said "disappear"), that's why it looked strange to me. In any case, I will do the check: if this bond will fall outside specifications in specbond.dat I will conclude that

[gmx-users] Re: disulfide bridge broken during EM

2011-03-10 Thread Anna Marabotti
Dear Justin, thank you very much. Yes for sure bonds do not "break" during EM (I should have better said "disappear"), that's why it looked strange to me. In any case, I will do the check: if this bond will fall outside specifications in specbond.dat I will conclude that it is only a crystallograp