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Saving it in the working directory should work fine..... I hope that you have added the #include line in the right place within the topology file<br>Mohammed<br><br>> Date: Sun, 1 Feb 2009 16:49:17 +0530<br>> From: aswathys@amritapuri.amrita.edu<br>> To: gmx-users@gromacs.org<br>> Subject: [gmx-users] Re: gmx-users Digest, Vol 58, Issue 2<br>> <br>> Dear Mohammed,<br>> <br>> Thanks for your reply.<br>> The .ITP file from the PRODRG server has saved as drg.itp and added "#include "drg.itp"" line in the topology file.<br>> still getting the same error. <br>> <br>> Where should I save the drg.itp file in the present working directory or share/top directory?<br>> <br>> Thanks,<br>> Aswathy<br>> Dept. Biotechnology<br>> Ext. 3108<br>> <br>> ----- Original Message -----<br>> From: gmx-users-request@gromacs.org<br>> To: gmx-users@gromacs.org<br>> Sent: Sunday, February 1, 2009 4:30:04 PM GMT +05:30 Chennai, Kolkata, Mumbai, New Delhi<br>> Subject: gmx-users Digest, Vol 58, Issue 2<br>> <br>> Send gmx-users mailing list submissions to<br>> gmx-users@gromacs.org<br>> <br>> To subscribe or unsubscribe via the World Wide Web, visit<br>> http://www.gromacs.org/mailman/listinfo/gmx-users<br>> or, via email, send a message with subject or body 'help' to<br>> gmx-users-request@gromacs.org<br>> <br>> You can reach the person managing the list at<br>> gmx-users-owner@gromacs.org<br>> <br>> When replying, please edit your Subject line so it is more specific<br>> than "Re: Contents of gmx-users digest..."<br>> <br>> <br>> Today's Topics:<br>> <br>> 1. RE: IN4 molecule type error (Mohammed Kamal)<br>> <br>> <br>> ----------------------------------------------------------------------<br>> <br>> Message: 1<br>> Date: Sun, 1 Feb 2009 21:11:11 +1100<br>> From: Mohammed Kamal <mohkam978@hotmail.com><br>> Subject: RE: [gmx-users] IN4 molecule type error<br>> To: Gromacs <gmx-users@gromacs.org><br>> Message-ID: <BAY118-W17CC364801C129280EA54EF4C40@phx.gbl><br>> Content-Type: text/plain; charset="iso-8859-1"<br>> <br>> <br>> You have to include the .itp file that you have obtained from PRODRG in the topology file. Be sure that you have changed the extension of the .itp file that you have obtained from the PRODRG server from .ITP to .itp!!<br>> Mohammed<br>> <br>> > Date: Fri, 30 Jan 2009 20:57:28 +0530<br>> > From: aswathys@amritapuri.amrita.edu<br>> > To: gmx-users@gromacs.org<br>> > Subject: [gmx-users] IN4 molecule type error<br>> > <br>> > Dear Gromacs users,<br>> > <br>> > I am a new user of gromacs. I was trying the Enzyme- Drug complex tutorial for a test run and i have ended up with following error. Please try to help me<br>> > <br>> > <br>> > creating statusfile for 1 node...<br>> > <br>> > Back Off! I just backed up mdout.mdp to ./#mdout.mdp.90#<br>> > checking input for internal consistency...<br>> > calling /usr/bin/cpp...<br>> > TEST1/trp.top:12:9: error: #include expects "FILENAME" or <FILENAME><br>> > cpp exit code: 256<br>> > Tried to execute: '/usr/bin/cpp -I/usr/local/gromacs/share/top -DFLEXIBLE TEST1/trp.top > gromppVEFM2b'<br>> > The '/usr/bin/cpp' command is defined in the .mdp file<br>> > processing topology...<br>> > Generated 1284 of the 1485 non-bonded parameter combinations<br>> > Excluding 3 bonded neighbours for Protein_A 1<br>> > Cleaning up temporary file gromppVEFM2b<br>> > Fatal error: No such moleculetype IN4<br>> > <br>> > Can you please tell me what could be the reason for this? Please help me.<br>> > <br>> > Thanks in advance,<br>> > <br>> > Aswathy<br>> > Amrita School of Biotechnology<br>> > Dept. Biotechnology<br>> > Ext. 3108<br>> > _______________________________________________<br>> > gmx-users mailing list gmx-users@gromacs.org<br>> > http://www.gromacs.org/mailman/listinfo/gmx-users<br>> > Please search the archive at http://www.gromacs.org/search before posting!<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>> > Can't post? Read http://www.gromacs.org/mailing_lists/users.php<br>> <br>> _________________________________________________________________<br>> Get rid of those unwanted christmas presents! Get what you want at ebay. <br>> http://a.ninemsn.com.au/b.aspx?URL=http%3A%2F%2Frover%2Eebay%2Ecom%2Frover%2F1%2F705%2D10129%2D5668%2D323%2F4%3Fid%3D10&_t=763807330&_r=hotmailTAGLINES&_m=EXT<br>> -------------- next part --------------<br>> An HTML attachment was scrubbed...<br>> URL: http://www.gromacs.org/pipermail/gmx-users/attachments/20090201/800342b2/attachment-0001.html<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 search the archive at http://www.gromacs.org/search before posting!<br>> <br>> End of gmx-users Digest, Vol 58, Issue 2<br>> ****************************************<br>> _______________________________________________<br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://www.gromacs.org/mailman/listinfo/gmx-users<br>> Please search the archive at http://www.gromacs.org/search before posting!<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>> Can't post? Read http://www.gromacs.org/mailing_lists/users.php<br><br /><hr />Get what you want at ebay. <a href='http://a.ninemsn.com.au/b.aspx?URL=http%3A%2F%2Frover%2Eebay%2Ecom%2Frover%2F1%2F705%2D10129%2D5668%2D323%2F4%3Fid%3D10&_t=763807330&_r=hotmailTAGLINES&_m=EXT' target='_new'>Get rid of those unwanted christmas presents!</a></body>
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