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hello gmx users<BR>
I am doing a simulation of protein in membrane after simulating a protein in water and inserting it into a membrane. One of my lab-mates is doing the same system by following a different procedure (difference listed below)<BR>
I did position restrain by define = -DPOSRES -DPOSRES_LIPID<BR>
and he is doing define = -DPOSRES<BR>
and then for lipid. <BR>
Rest of the procedure is the same. <BR>
He got conformational change within 250 ps and I did not get till 2ns <BR>
even though we use same parameters on mdp and have same starting structure.<BR>
<BR>
Can anyone give some insight what may be the logic for this difference?<BR>
<BR>
I can send gro files off the list for anyone willing to help.<BR>
<BR>
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