[gmx-users] Possible to extract gro file from a tpr?

[Gregory Man Kai Poon]

Hi Viveca,

You could specify in trjconv to output a gro file:

gmx trjconv -s md.tpr -f md.xtc -o md.gro ...

Would that work?

Gregory

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From: Viveca Lindahl
Sent: Friday, March 30, 5:38 AM
Subject: [gmx-users] Possible to extract gro file from a tpr?
To: gmx-users at gromacs.org


Hi users, Is it possible to extract a gro file from a tpr? Unfortunately 'gmx mdrun -nsteps 0' does not give a confout.gro :) -- Viveca -- Gromacs Users mailing list * Please search the archive at https://na01.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.gromacs.org%2FSupport%2FMailing_Lists%2FGMX-Users_List&data=02%7C01%7Cgpoon%40gsu.edu%7C2945ce2adec546aaaa4708d59621f5d9%7C515ad73d8d5e4169895c9789dc742a70%7C0%7C0%7C636579994967328095&sdata=IJQNYK7e7fThCcMMrap%2BWdFIh9yooCxrOEqwul1reKQ%3D&reserved=0 before posting! * Can't post? Read https://na01.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.gromacs.org%2FSupport%2FMailing_Lists&data=02%7C01%7Cgpoon%40gsu.edu%7C2945ce2adec546aaaa4708d59621f5d9%7C515ad73d8d5e4169895c9789dc742a70%7C0%7C0%7C636579994967328095&sdata=PkSVGc8soVK%2F7ujDmWccPDX4Ewyb10wn1ZEXY3cj7II%3D&reserved=0 * For (un)subscribe requests visit https://na01.safelinks.protection.outlook.com/?url=https%3A%2F%2Fmaillist.sys.kth.se%2Fmailman%2Flistinfo%2Fgromacs.org_gmx-users&data=02%7C01%7Cgpoon%40gsu.edu%7C2945ce2adec546aaaa4708d59621f5d9%7C515ad73d8d5e4169895c9789dc742a70%7C0%7C0%7C636579994967484360&sdata=NmMm2zEPkvPcXha6vjzFW897xlgXtYPhO4nhW%2FgopDw%3D&reserved=0 or send a mail to gmx-users-request at gromacs.org.