<html><head></head><body bgcolor='#FFFFFF' style='font-size:10pt;background-color:#FFFFFF;font-family:Verdana, Arial, sans-serif;'><br/>Dear Gromacs-users,<br/><br/>I would like to force an arbitrary water molcule from the box into an occluded cavity of a membrane-channel. It do not want this water molcule within the cavity at the beginning of the simulation.<br/><br/>I though that I could implement intermolecular distance restraints between a water residue an the protein, but I did not manage that and all the suggestions I found here to implement intermolecular distance restraints seem not to work out for water - protein contacts. Does anybody has a suggestion how to implement such restraints ? Would the pull-code an option for my problem ?<br/><br/>Thank you very much<br/>Markus<br/><br/><br/><br/> <br><br><table cellpadding="0" cellspacing="0" border="0"><tr><td bgcolor="#000000"><img src="https://img.ui-portal.de/p.gif" width="1" height="1" border="0" alt="" /></td></tr><tr><td style="font-family:verdana; font-size:12px; line-height:17px;">SMS schreiben mit WEB.DE FreeMail - einfach, schnell und <br>kostenguenstig. Jetzt gleich testen! <a href="http://f.web.de/?mc=021192"><b>http://f.web.de/?mc=021192</b></a></td></tr></table>
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