[gmx-users] Trjconv PDB files define solvent as "ATOM"?
blind.watchmaker at yahoo.com
Tue Mar 20 03:49:50 CET 2012
Following up to myself:
Looking back through the archives, I have learned that the issue of
solvent atoms being exported from trjconv into PDB files as "ATOM"
rather than as "HETATM" is an issue that was raised fully six years ago.
I can hack my way around this problem. But I would still like to
understand whether, and why, I should do so.
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