hello:
I am going to use ptraj vector command to analyze 'area/lipid' for
the membrane system. here is my input file
------------
/trajin md.mdcrd 1 50000 100
vector POPE :314-679 out pope.vector /
------------
PTRAJ: Processing input from file ptraj.in
PTRAJ: trajin md.mdcrd 1 50000 100
Checking coordinates: md.mdcrd
Rank: 0 Atoms: 38394 FrameSize: 933000 TitleSize: 81 NumBox: 3 Seekable 1
PTRAJ: vector POPE :314-679 out pope.vector
Mask [:314-679] represents 15250 atoms
Error: vector: specified vector mode requires a second mask.
[No output trajectory specified (trajout)]
md.mdcrd: 50000 frames.
PTRAJ: Successfully read the input file.
Coordinate processing will occur on 500 frames.
Summary of I/O and actions follows:
INPUT COORDINATE FILES
File (md.mdcrd) is an AMBER trajectory (with box info) with 50000
sets (processing only 500)
NO OUTPUT COORDINATE FILE WAS SPECIFIED
NO ACTIONS WERE SPECIFIED
Processing AMBER trajectory file md.mdcrd
thank you very much
best
Albert
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Received on Tue Jun 19 2012 - 01:30:03 PDT
