Hi,
The GROMACS user manual is a good place to start. For more specific help you will probably need to provide details of exactly what you want to do. What are you simulating? What are the questions you are hoping to answer? Best wishes, -Syma ******************************************************************** Dr. Syma Khalid e-mail: [EMAIL PROTECTED] Dept. of Biochemistry phone: (0)1865-275380 University of Oxford fax: (0)1865-275273 South Parks Road Oxford OX1 3QU U.K. ________________________________ _____ From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Alif M Latif Sent: 29 August 2007 19:19 To: [email protected] Subject: [gmx-users] Self-assembly lipid simulation Dear Gromacs users, I'm doing MD Simulation on self-assembly of lipid molecules using gromacs. If someone can kindly help me find the conditions (for my .mdp file) for these kind of simulation? There are many choices and i would like to ask for opinion on general (usually) conditions used in the .mdp file for the simulation. I would like to look for physical and some thermodynamical properties from my simulation results. This is to aid the experimental results done. Any paper or links also can help me a lot. I have read many papers but i thought maybe u guys can help add more to it. This is because not much options i can find in those papers and not all of them use gromacs.Thanks for reading and your help is greatly appreciated. Thanks again. ---------------------------------------------------------------------------- ------------------------------------------------------ M. Alif M. Latif Chemistry Department, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor, Malaysia _____ Take the Internet to Go: Yahoo!Go puts the Internet <http://us.rd.yahoo.com/evt=48253/*http:/mobile.yahoo.com/go?refer=1GNXIC> in your pocket: mail, news, photos & more.
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