Dear all,
while preparing my topology files for simulation. I specifically set the
PBRadii as mbondi3. i checked this in my leap.log file. This is because i
was going to set the igb=8 in my mmgbsa script file.
but when i run it, it gives me the error of "Topology files have
inconsistent RADIUS_SETs". I dont understand why the error when i already
set the default radius
Now the solution is to change the radii of the existing files using parmed.
I checked the AMBER manual, i am not clear how to use the command
changeRadii. the topology file is to be parsed to the command. but how
when i type changeRadii mbondi3 <x.prmtop> new.prmtop, the error is "
changeRadii: command not found"
kindly guide me to its usage
thank you
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Apr 23 2021 - 09:00:03 PDT
