Hi,<br><br>Greetings from Pawan.<br>Edit your lipid.itp file.<br>Comment or remove the lines :<br> [default]<br> 1 1<br><br>Then grompp will work..<br><br>Regards, <br>Pawan<br><br><div class="gmail_quote">
2009/3/30 nitu sharma <span dir="ltr"><<a href="mailto:sharmanitu35@gmail.com">sharmanitu35@gmail.com</a>></span><br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Dear all ,<br><br><br> I am trying to do simulation of DMPC lipid bilayer for this I have made topology file with the help of teleman website by downloading two file -lipid.itp &dmpc.itp . But when I run the grompp for energy minimisation I am getting error like this -<br>
<br>Program grompp, VERSION 4.0.3<br>Source code file: topio.c, line: 430<br><br>Fatal error:<br>Syntax error - File lipid.itp, line 9<br>Last line read:<br>'1 1'<br>Found a second defaults directive.<br><br>
my command line like this- [nitu@localhost dmpc1tap]$ grompp -f em.mdp -p dmpc.top -c dmpc-solvated.pdb -o dmpc-em.tpr<br>If anyone know about this please help me in solving this problem .<br><br>its very useful for me.<br>
<br>thank you very much in advance.<br><font color="#888888"><br>Nitu Sharma<br>School Of life sciences<br>Jawaherlal Nehru University<br>New Delhi, India<br><br><br><br>
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