On Mon, Jan 29, 2018, SHALJA VERMA wrote:
> I am using this command to generate protein PDB from the files received
> from H++ but the generated PDB is empty. Please help me how to come out of
> this problem.
>
> ambpdb -p 0.15_80_10_pH6.5_1ODX.top -c 0.15_80_10_pH6.5_1ODX.crd >
> 0.15_80_10_pH6.5_1ODX.pdb
I'm confused: *.top and *.crd files are created by LEaP, and not by H++. What
is the "file received from H++"?
What is the result of typing "head 0.15_80_10_pH6.5_1ODX.top"? The first
integer should be the number of atoms. Does that look correct?
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jan 29 2018 - 05:30:02 PST
