Thank you Elena,<br>
I think the topology was updated, but I had problems
related to "Memory access error" when i used the mdrun to perform the
simulation... So I was wondering if it is not enough memory of my
computer or if I should have somehow updated also the parameter file...
Please gromacs users any information about would be great,<br>
Thanks in advance,<br>
Fernando Mattio.<br><br><div><span class="gmail_quote">2005/10/7, elena.papaleo <<a href="mailto:elena.papaleo@unimib.it">elena.papaleo@unimib.it</a>>:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Dear Fernando,<br>I think you can use the command pdb2gmx -f<br>minimized_2water.gro -p minimized_2water.top<br>to update your topology file...<br>best regard<br>Elena Papaleo<br><br><br>Elena Papaleo, PhD Student<br>Department of Biotechnology and Biosciences
<br>University of Milano-Bicocca<br>P.zza della Scienza 2, 20126 Milano (Italy)<br><br>email: <a href="mailto:elena.papaleo@unimib.it">elena.papaleo@unimib.it</a><br>phone: +39 0264483475<br></blockquote></div><br>