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Dear Magnus,<br>
Thank you for your kind reply. When I ran mdrun by
taking 4 repeat units of the polymer in a box it runs successfully. But
when I take more that 10 repeat units it gives me the same problem. Can
you suggest me how I can proceed for this? Do I need to change the .mdp
file parameters if I increase the no. of repeat units?<br>
Thanking you in advance.<br>
Rahul Karyappa<br>
NCL, India.<br>
<br><font face="Arial" size="2"><TABLE STYLE="border-color: blue; border-left: 1px solid blue; padding-left: 5px;"><tbody><TR><TD><b><i>-- Original Message --</i></b><br>From: "Magnus Andersson" <magnus.andersson@chembio.chalmers.se><br>To: "Discussion list for GROMACS users" <gmx-users@gromacs.org><br>Date: Mon, 29 Aug 2005 10:45:13 +0200 (CEST)<br>Subject: Re: [gmx-users] difficulty when I run mdrun<br><br><br>Hi Rahul,<br><br>This happened to me once and after looking at the log file it was full of<br>error messages taking up space, ie not a good mdrun. So I checked the<br>error messages, corrected them and it was fine after that.<br><br>/Magnus Andersson<br><br><br>> Dear all,<br>><br>> When I run mdrun on a box containing a chain, surrouned by<br>> water molecules, I am facing one critical problem. When I start the<br>> simulation, the md.log file will get created. But after some time<br>> (20-30 minutes) the md.log file acquires all the space remained on the<br>> disk. It shows me md.log file size of 14.4 GB and still the simulation<br>> is not complete. What may be the problem? I am stuck. PLease help me<br>> out.<br>><br>> Thanking you in advance.<br>><br>><br>> Rahul Karyappa<br>><br>> NCL, India<br>><br>><br>><br>><br>><br>> *****************************************************************<br>> This email is virus free by TrendMicro Inter Scan Security Suite.<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.<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><br>www interface or send it to gmx-users-request@gromacs.org.<br><br>*****************************************************************<br>This email is virus free by TrendMicro Inter Scan Security Suite.<br>*****************************************************************<br></TD></TR></tbody></TABLE></font></BODY></HTML>
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