<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><DIV>Yes I find the in the mdp file I wrote "tc-grps=Ptotein Other". Sorry for this stupid error.</DIV>
<DIV>Thank you.<BR><BR>Yeping Sun<BR>CAS Key Laboratory of Pathogenic Microbiology & Immunology<BR>INSTITUTE OF MICROBIOLOGY CHINESE ACADEMY OF SCIENCES <BR>NO.1 Beichen West Road,Chaoyang District,Beijing 100101,china<BR><BR>--- <B>11年11月25日，周五, Gianluca Santoni <I><gianluca.santoni@ibs.fr></I></B> 写道：<BR></DIV>
<BLOCKQUOTE style="BORDER-LEFT: rgb(16,16,255) 2px solid; PADDING-LEFT: 5px; MARGIN-LEFT: 5px"><BR>发件人: Gianluca Santoni <gianluca.santoni@ibs.fr><BR>主题: Re: [gmx-users] grompp error<BR>收件人: "Discussion list for GROMACS users" <gmx-users@gromacs.org><BR>日期: 2011年11月25日,周五,下午4:21<BR><BR>
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<DIV>The most reasonable thing is that there is a typo in your .mdp or in your .top files.<BR>Check where you've written "Ptotein" instead of Protein<BR><BR><BR>On 11/25/11 4:09 PM, yp sun wrote:
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<DIV>Dear Sir'</DIV>
<DIV> </DIV>
<DIV>When I ran the grompp as following</DIV>
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<DIV>grompp -v -f md.mdp -c pr.gro -p RI-10.top -o md.tpr</DIV>
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<DIV>a error information appeared: </DIV>
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<DIV><BR> </DIV>
<DIV>Program grompp, VERSION 3.3.1<BR>Source code file: readir.c, line: 789</DIV>
<DIV>Fatal error:<BR><FONT style="BACKGROUND-COLOR: #ffff00">Group Ptotein</FONT> not found in indexfile<BR>Maybe you have non-default goups in your mdp file, while not using the '-n' opti on of grompp.<BR>In that case use the '-n' option</DIV>
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<DIV>I don't know which file "<FONT style="BACKGROUND-COLOR: #ffff00">Group Ptotein</FONT><FONT style="BACKGROUND-COLOR: #ffffff">" </FONT><FONT style="BACKGROUND-COLOR: #ffffff">is in and where I should make change.</FONT></DIV>
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<DIV><FONT style="BACKGROUND-COLOR: #ffffff">Can you help me? Thanks in advance.</FONT></DIV>
<DIV><BR>Yeping Sun<BR>CAS Key Laboratory of Pathogenic Microbiology & Immunology<BR>INSTITUTE OF MICROBIOLOGY CHINESE ACADEMY OF SCIENCES <BR>NO.1 Beichen West Road,Chaoyang District,Beijing 100101,china</DIV></TD></TR></TBODY></TABLE><BR>
<FIELDSET class=yiv850869737mimeAttachmentHeader></FIELDSET> <BR></BLOCKQUOTE><BR><BR><PRE class=yiv850869737moz-signature>--
Gianluca Santoni,
Institut de Biologie Structurale
41 rue Horowitz
Grenoble
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