Hi All,
With reference to the query posted by my colleague, Xiao Chen (
http://archive.ambermd.org/201106/0259.html), I am also getting segmentation
fault , when i run cpptraj to calculate rmsd for the residues using
trajectory (with waters stripped, i.e. wt_dry.mdcrd).
trajin wt_dry.mdcrd
reference wt.pdb
rmsd :1-160 reference perres range 1-160 perresout back.tmp perresmask
.CA,C,O,N
go
cpptraj wt_dry.prmtop cpptraj_rmsd.in
I have performed bugfix for ambertools 1.5 on
Linux.<
http://archive.ambermd.org/201106/0242.html>
Please find attached the pdb file, since the size of the parameter and
trajectory files exceeds permissible size limit.
Could you please help??
Thanks,
Praapti
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- chemical/x-pdb attachment: wt.pdb
Received on Wed Aug 31 2011 - 23:30:02 PDT
