The tutorial to which you refer should give you all the necessary background to apply pulling to a variety of systems. In general, the procedure is the same.
-Justin Quoting abdul wadood <[email protected]>: > > Dear gmx user > > First of all I am very thankful to all of you in helping me in the running of > normal simulation using gromacs. > Now, I want to calculate pmf for enzyme ligand complex. I search for correct > direction but not found anywhere. > There is tutorial on the gromacs website but it is for peptide peptide > complex. Now, I dont understand how to specify the reference group to pull > the ligand. > The complex structure is attached. > Any kind of help in this regard will be highly appreciated. > > Many regards > > Abdul Wadood, > Research Scholar, > Dr.Panjwani Center for Molecular Medicine and > Drug Research, > International Center for Chemical and > Biological Science, > University of Karachi, Karachi-75720, Pakistan. > Email:[email protected] > > > > _________________________________________________________________ > The New Busy think 9 to 5 is a cute idea. Combine multiple calendars with > Hotmail. > http://www.windowslive.com/campaign/thenewbusy?tile=multicalendar&ocid=PID28326::T:WLMTAGL:ON:WL:en-US:WM_HMP:042010_5 ======================================== Justin A. Lemkul Graduate Research Assistant Department of Biochemistry Virginia Tech Blacksburg, VA [email protected] | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ ======================================== -- gmx-users mailing list [email protected] http://lists.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
