VMD-L Mailing List
From: Adrain Koh (kohsj_at_ihpc.a-star.edu.sg)
Date: Tue Nov 09 2004 - 21:43:52 CST
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Dear Sir,
With reference to a message posted earlier, I've attached a .txt
trajectory file for conversion. I have referred to the website
suggested but do not have an idea how to create an equivalent .xyz
trajectory file. Seeking some advice from you. Thanks!
Adrian.
! Copyright Comments
!
# Simulated by : CSM_at_IHPC.Singapore
# Date : Wed Nov 3 12:30:50 2004
#
# Model Name : Platium Nanowire
# Number of Atoms : 360
# Task : Simulated Stretching
!
! ===========================
! Frame 0000
! ===========================
!
! Mom & Angular mom: -.22E-16 -.41E-16 .20E-17 -.23E-13 .24E-13 -.16E-13
! Center: -.8388352E-16 .3898116E-15 14.76533
! Peng,Keng,TOTeng: .0000000E+00 6.463764 6.463764
! tempr,rms_dis: 50.00000 .0000000E+00
! fmax,frms: .0000000E+00 .0000000E+00
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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! ===========================
! Frame 0001
! ===========================
!
! Mom & Angular mom: .74E-16 -.82E-16 .96E-16 -6.4 -3.1 -.18E-04
! Center: .2166168E-14 -.2074883E-14 14.76533
! Peng,Keng,TOTeng: -5562.648 9.409716 -5553.238
! tempr,rms_dis: 72.78821 .1221517
! fmax,frms: 27.78691 13.89763
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0002
! ===========================
!
! Mom & Angular mom: .23E-15 -.96E-18 -.20E-16 4.0 39. .22E-04
! Center: .7975102E-14 -.2639864E-14 14.76533
! Peng,Keng,TOTeng: -5564.093 7.057164 -5557.036
! tempr,rms_dis: 54.59021 .1251000
! fmax,frms: 24.84562 11.65534
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0003
! ===========================
!
! Mom & Angular mom: .32E-15 -.65E-16 -.13E-15 12. 35. .15E-04
! Center: .1702465E-13 -.3355341E-14 14.76533
! Peng,Keng,TOTeng: -5563.404 6.683817 -5556.720
! tempr,rms_dis: 51.70220 .1539692
! fmax,frms: 25.18077 10.85436
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0004
! ===========================
!
! Mom & Angular mom: .35E-15 -.92E-16 -.20E-15 44. 15. -.14E-04
! Center: .2566712E-13 -.6264125E-14 14.76533
! Peng,Keng,TOTeng: -5562.257 6.616625 -5555.641
! tempr,rms_dis: 51.18244 .1747587
! fmax,frms: 24.24795 11.02612
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0005
! ===========================
!
! Mom & Angular mom: .22E-15 -.12E-16 -.21E-15 18. -34. -.11E-04
! Center: .3598356E-13 -.8714017E-14 14.76533
! Peng,Keng,TOTeng: -5560.898 6.635959 -5554.262
! tempr,rms_dis: 51.33200 .2011078
! fmax,frms: 24.81528 11.41766
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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