concatenate_trajectories
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concatenate_trajectories [2016/03/07 14:21] (current) root created |
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| + | ====== Concatenate traj files ====== | ||
| + | |||
| + | Open ''ptraj.in'' and add the following lines: | ||
| + | |||
| + | ''trajin rec.h.mdcrd''\\ | ||
| + | ''trajin rec.eq1.mdcrd''\\ | ||
| + | ''trajin rec.eq2.mdcrd''\\ | ||
| + | ''trajin rec.eq3.mdcrd''\\ | ||
| + | ''trajin rec.eq4.mdcrd''\\ | ||
| + | ''trajin rec.eq5.mdcrd''\\ | ||
| + | ''trajin rec.md1.mdcrd''\\ | ||
| + | ''trajin rec.md2.mdcrd''\\ | ||
| + | ''trajin rec.md3.mdcrd''\\ | ||
| + | ''trajin rec.md4.mdcrd''\\ | ||
| + | ''trajin rec.md5.mdcrd''\\ | ||
| + | ''trajin rec.md6.mdcrd''\\ | ||
| + | ''...''\\ | ||
| + | ''trajout rec.all.mdcrd''\\ | ||
| + | \\ | ||
| + | Now execute ''ptraj rec.top < ptraj.in''\\ | ||
| + | |||
concatenate_trajectories.txt ยท Last modified: 2016/03/07 14:21 by root
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