On 4/17/13 11:06 AM, Steven Neumann wrote:
What do you mean by style 8?
Did you read trjconv -h? There's an enumerated list in the very beginning.
Mark is pointing you towards #8 in that list.
-Justin
On Tue, Apr 16, 2013 at 4:51 PM, Mark Abraham <mark.j.abra...@gmail.com>wrote:
See style 8 for trjconv -h
Mark
On Tue, Apr 16, 2013 at 10:26 AM, francesco oteri <
francesco.ot...@gmail.com
wrote:
Hi,
yes Marc you are right but the last time I used gromacs on a namd
trajectory
I noticed that time in the output files is useless 'cause it is always 0.
I understand that, since this information is usually took from .trr or
.xtc, it cannot
be extracted from a .dcd, but it could be more useful using as x the
frame
number.
This could, at least, permitting to visualize the plot with xmgrace
without
postprocessing
the .xvg
Francesco
2013/4/16 Mark Abraham <mark.j.abra...@gmail.com>
On Apr 15, 2013 6:27 PM, "Justin Lemkul" <jalem...@vt.edu> wrote:
On 4/15/13 12:23 PM, Steven Neumann wrote:
Dear Gmx Users,
I obtained dcd trajectory from simulation in another software. I
wish
to
merge many trajectories using trjcat with a proper timestep. Is that
option
possible using gromacs or shall use a script to produce tpr file
from
my
prmtop file e.g. amb2gmx ? Any links for such a script?
If you linked against VMD libraries when installing, Gromacs can
handle
any trajectory/coordinate file format that VMD can, thus requiring no
conversion. If you need a .tpr file to do the analysis you are trying
to
do, then yes, you need to convert topology information into the proper
format.
...and be aware that a -s option that accepts both .tpr and (say) .gro
formats (as shown in g_tool -h) might succeed with the latter if only
atom
names, rather than (say) bonding connectivity is required for g_tool
to
work.
Mark
-Justin
--
========================================
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Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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Cordiali saluti, Dr.Oteri Francesco
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Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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