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标题: 求助从轨迹文件中提取RST结构文件无法显示的问题 [打印本页]

作者
Author: hhhnano 时间: 2021-1-11 15:54
标题: 求助从轨迹文件中提取RST结构文件无法显示的问题
我用cpptraj提取MD轨迹文件中的480-500之间截照RST文件，生成RST文件后，在VMD中，载入top和任一RST文件，却无法显示，不知如何修改？非常感谢。
Info) Using plugin parm7 for structure file EstYZ5-DMP-complex-wat.top
Info) Analyzing structure ...
Info) Atoms: 32786
Info) Bonds: 32839
Info) Angles: 0  Dihedrals: 0  Impropers: 0  Cross-terms: 0
Info) Bondtypes: 0  Angletypes: 0  Dihedraltypes: 0  Impropertypes: 0
Info) Residues: 9720
Info) Waters: 9420
Info) Segments: 1
Info) Fragments: 9423 Protein: 1 Nucleic: 0
ERROR) Cannot read file of type rst
ERROR) Loading of startup molecule files aborted.

parm EstYZ5-DMP-complex-wat.top
trajin EstYZ5-DMP_equil-1.nc
trajout  EstYZ5-DMP-wat_equil-480.rst restart onlyframes 480
trajout  EstYZ5-DMP-wat_equil-481.rst restart onlyframes 481
trajout  EstYZ5-DMP-wat_equil-482.rst restart onlyframes 482
trajout  EstYZ5-DMP-wat_equil-483.rst restart onlyframes 483
trajout  EstYZ5-DMP-wat_equil-484.rst restart onlyframes 484
trajout  EstYZ5-DMP-wat_equil-485.rst restart onlyframes 485
trajout  EstYZ5-DMP-wat_equil-486.rst restart onlyframes 486
trajout  EstYZ5-DMP-wat_equil-487.rst restart onlyframes 487
trajout  EstYZ5-DMP-wat_equil-488.rst restart onlyframes 488
trajout  EstYZ5-DMP-wat_equil-489.rst restart onlyframes 489
trajout  EstYZ5-DMP-wat_equil-490.rst restart onlyframes 490
trajout  EstYZ5-DMP-wat_equil-491.rst restart onlyframes 491
trajout  EstYZ5-DMP-wat_equil-492.rst restart onlyframes 492
trajout  EstYZ5-DMP-wat_equil-493.rst restart onlyframes 493
trajout  EstYZ5-DMP-wat_equil-494.rst restart onlyframes 494
trajout  EstYZ5-DMP-wat_equil-495.rst restart onlyframes 495
trajout  EstYZ5-DMP-wat_equil-496.rst restart onlyframes 496
trajout  EstYZ5-DMP-wat_equil-497.rst restart onlyframes 497
trajout  EstYZ5-DMP-wat_equil-498.rst restart onlyframes 498
trajout  EstYZ5-DMP-wat_equil-499.rst restart onlyframes 499
trajout  EstYZ5-DMP-wat_equil-500.rst restart onlyframes 500
run
quit

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