<html><head></head><body><div style="font-family: Verdana;font-size: 12.0px;"><div>Hey folks!</div>
<div>I want to position restrain my lipid bilayer for minimization and equibriliation, but grommp gives me following error:</div>
<div>
<div>Fatal error:<br/>
[ file posresdppe.itp, line 17 ]:<br/>
Atom index (13) in position_restraints out of bounds (1-12).</div>
<div> </div>
<div>I generated the *.itp files with genrestr -f membrane-ecoli.gro -n index.ndx -o posres{insert lipidname}.itp, making sure atom indices match with my index file.</div>
<div> </div>
<div>I think I've put them in the right order in the topology:</div>
<div>
<div>#include "martini.itp"</div>
<div>#include "martini_ions.itp"</div>
<div>[ moleculetype ]<br/>
#include "DPPE.itp"<br/>
#ifdef POSRES_LIPID<br/>
#include "posresdppe.itp"<br/>
#endif</div>
<div>#include "DOPE.itp"<br/>
#ifdef POSRES_LIPID<br/>
#include "posresdope.itp"<br/>
#endif</div>
<div>#include "POPE.itp"<br/>
#ifdef POSRES_LIPID<br/>
#include "posrespope.itp"<br/>
#endif</div>
<div>#include "POPG.itp"<br/>
#ifdef POSRES_LIPID<br/>
#include "posrespopg.itp"<br/>
#endif</div>
<div><br/>
[ system ]<br/>
e coli membrane</div>
<div>[ molecules ] <br/>
DPPE 61<br/>
DOPE 61<br/>
POPE 61<br/>
POPG 61<br/>
DPPE 61<br/>
DOPE 61<br/>
POPE 61<br/>
POPG 61<br/>
W 7166<br/>
NA+ 140<br/>
CL- 18</div>
<div> </div>
<div>So whats wrong? Do you have an idea?</div>
<div>Thanks in advance! :)</div>
<div>Warm regards,</div>
<div>Kathrin</div>
</div>
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