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clusterize molecular dynamic trajectories (amber, gromacs, charmm, namd, pdb...)
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can i use a trajectory and align it to the same protein structure saved in another pdb file? #37

Open hima111997 opened 1 year ago

hima111997 commented 1 year ago

assuming that i have 3 xtc files with N frames and i want to align all of them to the same protein structure. however this structure is saved in another pdb file. can i do this? will it work if i added this structure to one of the xtc files as the first frame then used:

ttclust -f xtc1_with ref xtc2 xtc3 -t top