<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman, new york, times, serif;font-size:12pt"><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;">Check you topology file, the name under [ moleculetype ] ("Protein_A" in your case) shall be one of the entries under [ molecules ].<br><br><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;">----- Original Message ----<br>From: David van der Spoel <spoel@xray.bmc.uu.se><br>To: Discussion list for GROMACS users <gmx-users@gromacs.org><br>Sent: Monday, April 16, 2007 2:52:38 PM<br>Subject: Re: [gmx-users] Fatal error: Protein_A<br><br><div>gbastian@pasteur.fr wrote:<br>> Dear Users,<br>> <br>> launching the MD I get this fatal error:<br>> <br>> Fatal error:<br>> No such moleculetype Protein_A<br>> <br>> What does it mean?<br>> <br>> thanks,<br>> <br>> Giacomo
Bastianelli<br>> <br>please go back to the tutorial. this is not an error message you get <br>from mdrun.<br><br>-- <br>David.<br>________________________________________________________________________<br>David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,<br>Dept. of Cell and Molecular Biology, Uppsala University.<br>Husargatan 3, Box 596, 75124 Uppsala, Sweden<br>phone: 46 18 471 4205 fax: 46 18 511 755<br>spoel@xray.bmc.uu.se spoel@gromacs.org <a target="_blank" href="http://folding.bmc.uu.se">http://folding.bmc.uu.se</a><br>++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++<br>_______________________________________________<br>gmx-users mailing list gmx-users@gromacs.org<br><a target="_blank"
href="http://www.gromacs.org/mailman/listinfo/gmx-users">http://www.gromacs.org/mailman/listinfo/gmx-users</a><br>Please search the archive at <a target="_blank" href="http://www.gromacs.org/search">http://www.gromacs.org/search</a> before posting!<br>Please don't post (un)subscribe requests to the list. Use the <br>www interface or send it to gmx-users-request@gromacs.org.<br>Can't post? Read <a target="_blank" href="http://www.gromacs.org/mailing_lists/users.php">http://www.gromacs.org/mailing_lists/users.php</a><br></div></div><br></div></div></body></html>