Modar internal command:
trjIn
To load a serials trajectory files to buffer and tell a brief about the trajectory.
- Syntax
trjIn [arguments] ...
- Examples
#loading trajectory files to buffer
trjin file=”run01.trj” \
file=”run02.trj”
- Arguments
Append=<bool>
Append or not
fmt=<type>
Trajectory file format, available types are:
Modar
CHM
File=<file name>
Input trajectory files, each argument can only carry one file. Please note that files must be fed in sequence in MD time.
- Variables exported
Ntotframes
Total number of frames in the buffer
TimeStart
MD time in ps of first frame
timeEnd
MD time in ps of last frame
Contact us
| Phone: | 400-660-8656 | |
| Email: | support@beemd.org |
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