Dhananjay wrote:
Hello all,
Using trjcat I have joined 3 *.trr files and got final *.trr file.
How to get/genetare corresponding *.tpr file ?
According to manual, the tpr file extension stands for portable binary
run input file. This file contains the starting structure of your
simulation, the molecular topology and all the simulation parameters.......
Do it mean that out of 3 *.tpr files (which are corresponding to above
*.trr file that I joined) I can take any one ?
yes, unless you do something like rmsd calculation, then the reference
should be carefully selected.
Thanking you in advance.....
Dhananjay
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David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
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