From: Falgun Shah (fhshah_at_olemiss.edu)
Date: Sat Jan 24 2009 - 17:20:27 CST
Dear sir
I am trying to calculate per residue rmsd. The protein i am using has 3
residues with negative indexes. so when i execute "rmsd_residue_over_time
top $sel_resid" i am getting following error: atomselect: cannot parse
selection text: protein and resid -3 and noh
i have 3 segment in the pdb file. Please let me know how to deal with the
issues. Also, i wanted to know how to merge trajectories from previous run
for RMSD or energy analysis (trajectories generated during different time
interval).
Regards
-- Falgun H shah PhD candidate (3rd year) Department of Medicinal Chemistry 2028, Natural Product Center University of Mississippi Ph No: 6629151286(O) 662 801 5667(M) email: fhshah_at_olemiss.edu
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