RE: [gmx-users] pull code absolute reference artifacts

2009-04-17 Thread Berk Hess
Hi, I have no clue why you would want to fix the peptide in the middle of the box. But what you want seems to be more like com removal for the peptide only with the comm options. The pull code will do approximately what you want, but with pressure coupling there is the problem that your peptide

Re: [gmx-users] pull code absolute reference artifacts

2009-04-16 Thread rversace
Hi Justin: 1) EXTREMELY IMPORTANT: I already know of 1 person, but is anyone alergic to either Iodine or Chlorine? No, I am not alergic to those compounds. The only thing that I am alergic is Penicillin and Ampicilin. 2) Any other medical problems? No 3) An Emergency contact person.