Dear Amber Users:
I have a query regarding useage of prep file..
I have used small residues made under gaff and joined them to make
large macromolecule taking care of atom types after joining...
all small residues were saved as mol2 then saved in .lib file.By using
the library having small residues I made macromolecule and also saved
macromolecule (named abc) in .lib file
to make prmtop and inpcrd file I used following:
source leaprc.gaff
loadoff mylibrary.lib
saveamberparm abc abc.prmtop abc.inpcrd
I have minimised and run the dynamics though no error was there
But I have seen many people using "prep" file to make prmtop and
inpcrd. can we not use directly our molecule saved in .lib library as I
have done or also we can use mol2 file
what is advantage of using prep file?
Thanks and regards:
JIomm
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Sep 14 2009 - 11:48:42 PDT
