Re: Re : Re : Re : Re : Re : [gmx-users] Re: Hexamer problem/ The N and C termini of peptides

2011-07-08 Thread Justin A. Lemkul
-Justin fatima ezzahra *De :* Justin A. Lemkul *À :* Discussion list for GROMACS users *Envoyé le :* Jeudi 7 Juillet 2011 17h03 *Objet :* Re: Re : Re : Re : Re : [gmx-users] Re: Hexamer problem/ The N and C termini of peptides errabah fatima ez

Re : Re : Re : Re : Re : [gmx-users] Re: Hexamer problem/ The N and C termini of peptides

2011-07-08 Thread errabah fatima ezzahra
De : Justin A. Lemkul À : Discussion list for GROMACS users Envoyé le : Jeudi 7 Juillet 2011 17h03 Objet : Re: Re : Re : Re : Re : [gmx-users] Re: Hexamer problem/ The N and C termini of peptides errabah fatima ezzahra wrote: > Thank you so much for your h

Re: Re : Re : Re : Re : [gmx-users] Re: Hexamer problem/ The N and C termini of peptides

2011-07-07 Thread Justin A. Lemkul
*De :* Justin A. Lemkul *À :* Discussion list for GROMACS users *Envoyé le :* Jeudi 7 Juillet 2011 15h55 *Objet :* Re: Re : Re : Re : [gmx-users] Re: Hexamer problem/ The N and C termini of peptides errabah fatima ezzahra wrote: > I am sorry to be asking you again but do

Re : Re : Re : Re : [gmx-users] Re: Hexamer problem/ The N and C termini of peptides

2011-07-07 Thread errabah fatima ezzahra
: Re : Re : [gmx-users] Re: Hexamer problem/ The N and C termini of peptides errabah fatima ezzahra wrote: > I am sorry to be asking you again but do you start with different velocities  > by changing the temperature that will lead to change in velocities, i ma new > to Gromacs so i

Re: Re : Re : Re : [gmx-users] Re: Hexamer problem/ The N and C termini of peptides

2011-07-07 Thread Justin A. Lemkul
: Re : [gmx-users] Re: Hexamer problem/ The N and C termini of peptides errabah fatima ezzahra wrote: > * > > hello > Does anybody knows why The N and C termini of peptides can be neutralized before running simulation of peptides ?? i read this some where in a research pape

Re : Re : Re : [gmx-users] Re: Hexamer problem/ The N and C termini of peptides

2011-07-07 Thread errabah fatima ezzahra
zahra De : Justin A. Lemkul À : Discussion list for GROMACS users Envoyé le : Jeudi 7 Juillet 2011 14h55 Objet : Re: Re : Re : [gmx-users] Re: Hexamer problem/ The N and C termini of peptides errabah fatima ezzahra wrote: > * > > hello > Does

Re : Re : Re : [gmx-users] Re: Hexamer problem/ The N and C termini of peptides

2011-07-07 Thread errabah fatima ezzahra
Thank you so much for your respond , i really appreciate your help De : Justin A. Lemkul À : Discussion list for GROMACS users Envoyé le : Jeudi 7 Juillet 2011 14h55 Objet : Re: Re : Re : [gmx-users] Re: Hexamer problem/ The N and C termini of peptides

Re: Re : Re : [gmx-users] Re: Hexamer problem/ The N and C termini of peptides

2011-07-07 Thread Justin A. Lemkul
errabah fatima ezzahra wrote: * hello Does anybody knows why The N and C termini of peptides can be neutralized before running simulation of peptides ?? i read this some where in a research paper , they dont say why but they do that using acetyl amine groops. Probably to evoid the repulsiv

Re : Re : [gmx-users] Re: Hexamer problem/ The N and C termini of peptides

2011-07-07 Thread errabah fatima ezzahra
hello Does anybody knows why The N and C termini of peptides can be neutralized before running simulation of peptides  ?? i read this some where in a research paper , they dont say why but they do that using acetyl amine groops. Probably to evoid the repulsive interactions between the end of t