Hi, The error message says the number of atoms in the first frame is not what was expected. That indicates the reference structure didn't match, which suggests the pdb file with the fitted structures wasn't used as reference. Solution: give the fitted structures both as reference (-s) and as trajectory (-f) with trjconv.
Cheers, Tsjerk On Feb 12, 2011 2:19 AM, "Mark Abraham" <[email protected]> wrote: On 12/02/2011 3:45 AM, Kwee Hong wrote: > > Hi Mark, > > I tried but with this error: > > Fatal erro... OK. I don't know why two frames with different numbers of atoms are written. Maybe g_confrms -one is useful. Or you can chop apart the PDB by hand in a text editor. Mark > ________________________________ > From: Mark Abraham < [email protected]> > To: Discussion... -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
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