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Dear gmx user<br><br>First of all I am very thankful to all of you in helping me in the running of normal simulation using gromacs.<br>Now, I want to calculate pmf for enzyme ligand complex. I search for correct direction but not found anywhere.<br>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. <br>The complex structure is attached. <br>Any kind of help in this regard will be highly appreciated.<br><br>Many regards<br><br><div>Abdul Wadood, <br>Research Scholar, <br>Dr.Panjwani Center for Molecular Medicine and <br>Drug Research, <br>International Center for Chemical and <br>Biological Science, <br>University of Karachi, Karachi-75720, Pakistan. <br>Email:wadoodbiochemist@hotmail.com <br></div><br><br> <br /><hr />The New Busy think 9 to 5 is a cute idea. Combine multiple calendars with Hotmail. <a href='http://www.windowslive.com/campaign/thenewbusy?tile=multicalendar&ocid=PID28326::T:WLMTAGL:ON:WL:en-US:WM_HMP:042010_5' target='_new'>Get busy.</a></body>
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