RE: [gmx-users] lipid simulations

Hi, I thought Chris' reply was more than adequate. All the other information you need you can get from papers by amongst others, the groups of: Tieleman, Marrink and Sansom. All that is needed is some background research and maybe a little (with the info out there, it need only be very little) tr

[gmx-users] lipid simulations

thanks for such a brief reply.. Considering that this is a volunteer mailing list, I don't consider my response to be brief. I'm not sure what you were hoping for. I have given you some good leads and a rather detailed outline of the details that are most difficult to pick out of the papers.

Re: [gmx-users] lipid simulations

hi thanks for such a brief reply.. i have already downloaded these four files from the Peter Tieleman's website: "dppc128.pdb dppc.itp inflategro.pl lipid.itp" but it looks like it has been simulated in water box for some time.. am i right? (i am afraid that i will not) then what's next and wh

[gmx-users] lipid simulations

what parameters should I use for lipid simulations That depends on the forcefield that you are using. I will tell you about what I do but this is a poor substitute for what you should really be doing, which is: 1) find the initial paper that publishes the forcefield that you are using an

[gmx-users] lipid simulations

Dear all i want to know about lipid molecule (as dppc) simulations. i am new in gromacs, i have used it for globular proteins but i am not very clear in case of membrane proteins. i have gone through literature and know the steps but not the technical details. as like what parameters should I use

[gmx-users] Re: \\[gmx\\-users\\] The energy minimization\\.\\.\\.\\.

As i say keep things to the list please. With regards to the files no as you should be able to fix the problem on your own as this will help you more in the long run. Try redoing every step making sure you do it correctly (especially the editing of the .rtp file) Tom --On 18 August 2007 10:5