VMD-L Mailing List

From: Stanley Lan (sclantw_at_hotmail.com)
Date: Mon Oct 17 2005 - 16:26:17 CDT

Hello everyone,

I am trying to make a movie by using the initial coordinate file and the
trajectory file from GROMOS96 simulation result.

Loading the coordinate file was not a problem but I couldn't load the
trajectory file by selecting the g96 format. VMD showed the following error
msg:
"No Structure information in file /<path>/<trajectory file>"
"ERROR) Could not read file /<path>/<trajectory file>"

If I selected any other available formats, VMD simply showed me:
"ERROR) Could not read file /<path>/<trajectory file>"

Is there a way to "turn up" the log level so that the error message can be
more interpretable and verbose?

I am using VMD 1.8.3 on a linux PC (slackware10.2)

My final goal is to make a movie out of my initial coordinates and the
trajectory from GROMOS result.

Thanks in advance.

-Stanley

Here is part of my trajectory file (I deleted a big portion of it since they
didn't seem important to me, I could be wrong. Please contact me if you
need the complete file for testing.):

=BOF=
TITLE
$Id: iempcl.dat,v 1.2 2000/10/20 12:29:39 gromos Exp $
END
TIMESTEP
            147 0.518588722
END
ENERGY
# ENER
-0.3215475E+05
  0.7724562E+04
  0.7724562E+04
  0.2910733E+02
  0.2910733E+02
  0.2910733E+02
  0.7695455E+04
  0.7695455E+04
-0.3987932E+05
  0.0000000E+00
# 10
  0.0000000E+00
  0.0000000E+00
  0.2553529E+02
  0.0000000E+00
  0.0000000E+00
  0.0000000E+00
  0.0000000E+00
  0.6098352E+04
-0.4648930E+05
-0.3175785E+03
# 20
  0.8036724E+03
  0.0000000E+00
# ENERES
  0.0000000E+00
  0.0000000E+00
  0.0000000E+00
  0.0000000E+00
  0.0000000E+00
  0.0000000E+00
# NUMUSD
    3
# ENERLJ,ENERCL,ENERRF,ENERRC
  0.4619526E+01 0.3951470E+03 -0.6761563E+02 0.6620401E+02
  0.5665094E+02 -0.2613196E+04 0.2889851E+02 0.7374684E+03
-0.1190074E+03 -0.9500724E+03 0.1531307E+03 0.1461857E-04
-0.2879240E+00 0.1225865E+03 -0.2392660E+02 0.0000000E+00
  0.7889620E+02 -0.8599962E+03 -0.1382724E+03 0.4296198E-06
  0.6077481E+04 -0.4258377E+05 -0.2697931E+03 -0.5871092E-05
END
POSITIONRED
    1.126477718 1.364905596 1.582740545
    1.274110794 1.436378002 1.588123560
    1.196202159 1.413280845 1.529842257
    1.150310636 1.494140029 1.493021369
    1.237280846 1.322410583 1.421857595
    1.116110444 1.268722653 1.345409513
    1.041743159 1.369518042 1.257558942
    1.157806635 1.148080349 1.261076927
    1.335683942 1.393326402 1.328620553
    1.447785378 1.344178796 1.316570878
# 10
    1.297751665 1.514312387 1.288480163
    1.203242421 1.546259999 1.295231819
[Deleted]
   2.443255663 2.409054279 2.123311281
    2.324791193 2.998526096 1.911451221
# 2830
    2.352324724 2.907167435 1.881488562
    2.311476469 2.996967316 2.010550261
    1.946586013 2.790724039 2.087211609
    1.871105909 2.766450882 2.025480032
    2.012133360 2.714556694 2.089403629
    2.275995493 2.807771683 2.853367329
    2.291668892 2.787541151 2.756246328
    2.206549168 2.744504929 2.888798475
END
BOX
    3.045200109 3.058700085 3.006109953
END
=EOF=