<DIV>
<DIV>Hi, Nuno,</DIV>
<DIV> </DIV>
<DIV>I ran those files from David, they are OK. </DIV>
<DIV> </DIV>
<DIV>I exactly used .top file and .mdp file from David, ( top file was changed in number of atoms).</DIV>
<DIV> </DIV>
<DIV>I only changed .gro file, which is randomly produced and been minimized in energy.</DIV>
<DIV> </DIV>
<DIV>But don't know why it did not work. </DIV>
<DIV> </DIV>
<DIV>Thanks</DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV> <BR><BR><B><I>"Nuno R. L. Ferreira" <nunolf@ci.uc.pt></I></B> wrote:</DIV>
<BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid">Hi Albert<BR><BR>From the beggining.<BR>You have some files from David, 125 Ar atoms , isn't it? Did you ever tryed<BR>to do mdrun with David's files in the same conditions you are trying now?<BR>Regards<BR>Nuno<BR><BR>######################################<BR>Nuno Ricardo Santos Loureiro da Silva Ferreira<BR>Departamento de Química<BR>Faculdade de Ciências e Tecnologia<BR>Universidade de Coimbra<BR>3004-535 Coimbra - Portugal<BR>Fax: +351 239 827703 - www.biolchem.qui.uc.pt<BR>########################################<BR><BR><BR>_______________________________________________<BR>gmx-users mailing list<BR>gmx-users@gromacs.org<BR>http://www.gromacs.org/mailman/listinfo/gmx-users<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.</BLOCKQUOTE></DIV><p><hr SIZE=1>
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