[gmx-users] CLOSED and DUPLICATED Re: Elegent way to continue md or trjcat continue trajectory
duyu at sioc.ac.cn
Fri Sep 29 07:29:34 CEST 2017
Similar question has been answered by the following link:
The tinit option in .mdp file, which sets the starting time for continuous MD run.
If I use tinit in .mdp file, the second question will not exist.
> -----Original Messages-----
> From: "Du, Yu" <duyu at sioc.ac.cn>
> Sent Time: 2017-09-29 12:12:00 (Friday)
> To: GMX-user <gromacs.org_gmx-users at maillist.sys.kth.se>
> Subject: [gmx-users] Elegent way to continue md or trjcat continue trajectory
> Dear GMX Users,
> I run MD after the previous MD and want to concatenate trajectories from these N continuous MDs.
> 1) Do I need special time setting for the second MD to avoid the trjcat confusing time setting?
> OR 2) Is there any ways to avoid the verbose interactive -setime, which needs the N "c" input?
> Du, Yu
> PhD Student,
> Shanghai Institute of Organic Chemistry
> 345 Ling Ling Rd., Shanghai, China.
> Zip: 200032, Tel: (86) 021 5492 5275
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Shanghai Institute of Organic Chemistry
345 Ling Ling Rd., Shanghai, China.
Zip: 200032, Tel: (86) 021 5492 5275
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