[gmx-users] Residue DAN always renamed to DNA

Dallas Warren dallas.warren at monash.edu
Tue Dec 18 02:16:59 CET 2018


Are the GROMACS scripts meant to rename residues when processing?  I have
one that is called DAN, and it is always changed to DNA, whether need to
select a group and haven't passed an .ndx file but using a .tpr file, or
for an example of processing by make_ndx, see ...

https://twitter.com/dr_dbw/status/1074835027068735488

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a
nail.


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