VMD-L Mailing List

From: Kevin C Chan (cchan2242-c_at_my.cityu.edu.hk)
Date: Thu Jul 07 2016 - 04:51:42 CDT

Dear Users,

Psfgen as a default would alias some atom names in order to run NAMD
afterwards. I am wondering, instead of running psfgen again with inverted
alias, is there a convenient way of changing the names of a pdb after MD
simulations (written from a coor file) back to what we see in a pdb from
the RCSB PDB bank?

Any experience shared would be appreciated.

Thanks,
Kevin
City University of Hong Kong