Dear Mark, Thank you and sorry. From parameters of oplsaa and quantum calculations, I have been building all force field parameters for GAP.
Cheers On Fri, 17 Aug 2007, Mark Abraham wrote: > Osmair Vital de Oliveira wrote: > > Dear Mark, > > > > Thank you for the helpful!!. For instance, I have been working with > > molecular dynamics simulation using gromacs for five years... > > Therefore, my ask is an thoughtful question. Contrary with your > > answer.. > > You didn't technically ask a question :-) In order to maximise your > chances of getting free help, you don't need to be ingratiating, but you > should be trying to show respect for your readers' time and expertise by > expressing yourself clearly. An email like > > "Hi, I've been doing molecular dynamics with GROMACS for five years and > want to simulate system <xxx>. I know I could generate a topology for > D-glyceraldehyde-3-phosphate for forcefield <yyy> by hand, but was > wondering whether anybody in the GROMACS community has one already > they'd be willing to share?" > > Now people know exactly what you want and why, and might answer > > "Yes, but only for forcefield <zzz>" > > "No, and by the way, forcefield <qqq> might be superior for <technical > reasons>" > > "No, but <vvv> published a simulation in journal <www> with a similar > molecule and you could try contacting them" > > "No, but you could check out > http://wiki.gromacs.org/index.php/Steps_to_Perform_a_Simulation and > http://wiki.gromacs.org/index.php/Parameterization for some advice on > generating topologies." > > ... and they'd be more motivated to give such thoughtful help if they > get a thoughtful question. > > Cheers :-) > > Mark > > > On Fri, 17 Aug 2007, Mark Abraham wrote: > > > >> Osmair Vital de Oliveira wrote: > >>> Hi, > >>> > >>> Somebody has force field parameters of the D-glyceraldehyde-3-phosphate > >>> (GAP). > >> If you want to ask a question, please ask an thoughtful question. You > >> should probably also check out > >> http://wiki.gromacs.org/index.php/Steps_to_Perform_a_Simulation and > >> http://wiki.gromacs.org/index.php/Parameterization > >> > >> Mark > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
