[Chimera-users] About MD movie problem

rama david ramadavidgroup at gmail.com
Wed Jul 30 12:00:20 PDT 2014


Dear Friends,
      I completed the simulation of peptide ligand and receptor in gromacs.
I want to make the simulation movie.  I am using latest version of chimera.
I also converted the trajectory files into single pdb movie in gromacs.
 I did following process:

1.  Through tool----> Md movie--
     I choose the gromacs option and load the tpr and trr/xtc files.
      But the software shows that  the memory is not enough.
     ( Frame 4000 and atoms 8000)


2.  For second time I chose the PDB option for Mdvie. I load the PDB &
      now I am getting following message :
      Residue 4.C not in the first model on line 17718 of Md.pdb file.

          I am pasting the few lines of md.pdb starting from line 17718

ATOM   8852  N   NH2 C   4      61.241  96.447  51.027  1.00
0.00
ATOM   8853  H1  NH2 C   4      61.539  97.208  50.457  1.00
0.00
ATOM   8854  H2  NH2 C   4      61.923  95.899  51.517  1.00
0.00
END



Could you please help me in the above problem,
I will be a very thankful to you for your help.
This is very Important movie for my work.

I am looking for reply,

With best Wishes
Rama David
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