Hi Mark, I have tried a lot but it still did not work. I just ran a similar case whose file content is similar to what I have right now and it worked , while this always failed.
I will post what I have to you. Thank you for your help. Yang ________________________________________ From: [EMAIL PROTECTED] [EMAIL PROTECTED] On Behalf Of Mark Abraham [EMAIL PROTECTED] Sent: Saturday, October 25, 2008 10:37 PM To: Discussion list for GROMACS users Subject: Re: [gmx-users] Fatal error: Invalid dihedral type 0 He, Yang wrote: > Hi Mark, > > I have carefully adjusted the parameters but it still doesn't work. I am > confused about that because I just dealt with the dihedraltypes before in the > same way and it works while for this time, something wrong happened. Try reading all of the grompp output carefully - paying attention to warnings, etc. This error message can arise because you've mangled something elsewhere in the .top file and the parser gets lost. If all else fails, please post your full command line, the full output of grompp, your full .mdp file and your full .top file. Mark _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
atom.gro
Description: atom.gro
att.mdp
Description: att.mdp
hust.top
Description: hust.top
ffyxhbon.itp
Description: ffyxhbon.itp
ffyxhnb.itp
Description: ffyxhnb.itp
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