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<BR> Hi,<BR>
I would like to calculate the PMF of an ion along a channel using Gromacs 4, and I have a doubt about the options I should use in the .mdp file:<BR>
<BR>
-which option should I choose for pull_geometry: distance? direction? or position?<BR>
-which is the equivalent option to the old "Pos1" (in Gromacs 3) for the Gromacs 4 version?<BR>
<BR>
Thank you very much for your help.<BR>
Best wishes,<BR>
<BR>
Rebeca Garcia Fandiño<BR>
Oxford Universtity<BR>
UK<BR> <br /><hr />49 habitantes, 49 expertos en Windows 7. Así es Sietes, <a href='http://www.sietesunpueblodeexpertos.com/' target='_new'> ¡Visítalo!</a></body>
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