<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div style="RIGHT: auto"><SPAN style="RIGHT: auto">You'd better first your .top file, to see if you have included DPPC .itp file and also in the compound section. if it was ok, check the .ndx and look for the atom numbers of DPPC, after finding the atom numbers, make a group ( Like othe parts of .ndx; water, or protein,...) and name it DPPC. save and continue. Hope it help</SPAN></div>
<div style="RIGHT: auto"><SPAN style="RIGHT: auto">Sogol<VAR id=yui-ie-cursor></VAR></SPAN></div>
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<DIV style="BORDER-BOTTOM: #ccc 1px solid; BORDER-LEFT: #ccc 1px solid; PADDING-BOTTOM: 0px; LINE-HEIGHT: 0; MARGIN: 5px 0px; PADDING-LEFT: 0px; PADDING-RIGHT: 0px; HEIGHT: 0px; FONT-SIZE: 0px; BORDER-TOP: #ccc 1px solid; BORDER-RIGHT: #ccc 1px solid; PADDING-TOP: 0px" class=hr contentEditable=false readonly="true"></DIV><B><SPAN style="FONT-WEIGHT: bold">From:</SPAN></B> Anushree Tripathi <anushritripathi@gmail.com><BR><B><SPAN style="FONT-WEIGHT: bold">To:</SPAN></B> Discussion list for GROMACS users <gmx-users@gromacs.org> <BR><B><SPAN style="FONT-WEIGHT: bold">Sent:</SPAN></B> Tuesday, January 31, 2012 9:44 AM<BR><B><SPAN style="FONT-WEIGHT: bold">Subject:</SPAN></B> [gmx-users] problem with volume equilibration<BR></FONT></DIV><BR>
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<DIV style="RIGHT: auto" id=yiv1154740145>When I run the command (i.e., <FONT face=Arial><FONT size=3><FONT size=-1 face=courier>grompp -f nvt.mdp -c em.gro -p topol.top -n index.ndx -o nvt.tpr)for volume equilibration.<BR><BR>I am getting the error:<BR>Fatal error:<BR>Group DPPC not found in indexfile.<BR>Maybe you have non-default goups in your mdp file, while not using the '-n' option of grompp.<BR>In that case use the '-n' option.<BR><BR>Please guide me.<BR><BR><BR></FONT></FONT></FONT></DIV>
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