<DIV>Hi Nuno,</DIV>
<DIV> </DIV>
<DIV>Thanks, Nuno. Because the program produce a temp.top, and the speptide.top was empty. I used temp.top and it works.</DIV>
<DIV> </DIV>
<DIV>Thanks again.</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">On Friday 19 March 2004 04:45 pm, xiaobing tian wrote:<BR>> Hi, Nuno,<BR>><BR>> Thank you for your patience. I followed your instructions, and it works<BR>> well. However, when i run grompp, it results the following error messages<BR>> (see below). I can not figure out why. Any advices would be very<BR>> appreciated.<BR>><BR>> calling C:\gromacs\bin\cpp...<BR>><BR>> processing topology...<BR>><BR>> processing coordinates...<BR>><BR>> Fatal error: number of coordinates in coordinate file (speptide_b4em.gro,<BR>> 9035)<BR>><BR>> does not match topology (speptide.top, 0)<BR>><BR>><BR>><BR>> C:\gromacs\share\tutor\speptide><BR><BR>Are you following the speptide just like the instructions in the Getting <BR>started "manual"? Or are you trying to solvate the peptide in a different <BR>solvent than water, say
DMSO?<BR><BR>Check the tail of your top file, it must have 1 molecule for the peptide and # <BR>molecules for the solvent.<BR><BR>Nuno<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><BR><BR>Xiaobing Tian Ph.D.<br>Department of Microbiology and Immunology<br>Thomas Jefferson University<br>1025 Walnut St., Suite 420<br>Philadelphia, PA19107<br>Phone: 215-955-1364 (Lab)<p><font face=arial size=-1>Do you Yahoo!?<br>
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