[From nobody Thu Nov 14 11:48:58 2013
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Message-ID: <20071026090018.20805.qmail@f5mail14.rediffmail.com>
From: "sarbani chattopadhyay" <sarbani_c84@rediffmail.com>
To: gmx-usrs@gromacs.org
Subject: trjconv help
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 =A0hi,=0A     I had run MD simulations where the output control parameters=
 were=0A    =0A    nstxout=3D250=0A    nstvout=3D 1000=0A    nstenergy=3D10=
0=0ADue to this the '.trr' file is very large. I want to compress this file=
 so that =0A  xyz coordinates are stored every 1000 steps,=0A  velocity is =
stored every 250000 steps and=0A  energy every 1000 steps.=0A  The timestep=
 is .002ps.=0A I will have to use the 'trjconv' file,but will it be possibl=
e to do it in one single command as =0Athe frequency of storing the xyz coo=
rdinates,velocity and energy are different,=0AI think Compressing the files=
 using 'skip' will not be of much help .=0A =0AThanks=0A
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<P>=0A  hi,<BR>=0A     I had run MD simulations where the ou=
tput control parameters were<BR>=0A    <BR>=0A    nstxo=
ut=3D250<BR>=0A    nstvout=3D 1000<BR>=0A    nstenergy=
=3D100<BR>=0ADue to this the '.trr' file is very large. I want to compress =
this file so that <BR>=0A  xyz coordinates are stored every 1000 steps=
,<BR>=0A  velocity is stored every 250000 steps and<BR>=0A  energ=
y every 1000 steps.<BR>=0A  The timestep is .002ps.<BR>=0A I will have=
 to use the 'trjconv' file,but will it be possible to do it in one single c=
ommand as <BR>=0Athe frequency of storing the xyz coordinates,velocity and =
energy are different,<BR>=0AI think Compressing the files using 'skip' will=
 not be of much help .<BR>=0A <BR>=0AThanks<BR>=0A=0A</P>=0A<br><br>=0A
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]