<DIV>
<DIV>Hi, Nuno,</DIV>
<DIV> </DIV>
<DIV>Thank you for your patience. I followed your instructions, and it works well.</DIV>
<DIV>However, when i run grompp, it results the following error messages (see below). I can not figure out why. Any advices would be very appreciated.</DIV>
<DIV><BR><FONT size=3><FONT face="Times New Roman">calling C:\gromacs\bin\cpp...<?xml:namespace prefix = o ns = "urn:schemas-microsoft-com:office:office" /><o:p></o:p></FONT></FONT></DIV>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT size=3><FONT face="Times New Roman">processing topology...<o:p></o:p></FONT></FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT size=3><FONT face="Times New Roman">processing coordinates...<o:p></o:p></FONT></FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT size=3><FONT face="Times New Roman">Fatal error: number of coordinates in coordinate file (speptide_b4em.gro, 9035)<o:p></o:p></FONT></FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes"> </SPAN>does not match topology (speptide.top, 0)<o:p></o:p></FONT></FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><o:p><FONT face="Times New Roman" size=3> </FONT></o:p></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>C:\gromacs\share\tutor\speptide></FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3></FONT> </P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>Thanks,</FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3></FONT> </P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>Xiaobing</FONT></P></DIV><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>
<a href="http://us.rd.yahoo.com/mailtag_us/*http://mail.yahoo.com" target="_blank"><b>Yahoo! Mail</a></b> - More reliable, more storage, less spam