Dear amber user,
In amber16+AmberTolls17, I am trying to delete extra water molecules from
two topology (and its crd files) to make both system the same number of
atoms, following the previous post:
http://archive.ambermd.org/201205/0053.html
I made:
===========================
# Loaded topologies: B.parm7
loadRestrt B.inpcrd
strip :64329-64343
printPointers
outparm prmtop2B inpcrd2B
go
===========================
However, when residue number reach the 9999 and/or atom number reach the
99999 value, parmed restart numbering from 0 value.
>From visual inspection of the crd file and commands:
cpptraj -p prmtop2B -y inpcrd2B -x inpcrd2B_cpptraj.pdb
and
ambpdb -p prmtop2B < inpcrd2B > inpcrd2B_ambpdb.pdb
How can I renumber sequentialy both parm7 and crd files ?
Greeting,
Hector.
--------------------------------------
Dr. Hector A. Baldoni
Profesor Adjunto (FQByF-UNSL)
Investigador Adjunto (IMASL-CONICET)
Area de Quimica General e Inorganica
Universidad Nacional de San Luis
Chacabuco 917 (D5700BWS)
San Luis - Argentina
hbaldoni at unsl dot edu dot ar
Tel.:+54-(0)266-4520300 ext. 6157
--------------------------------------
-.The theoretical approach these days can predict/show almost anything,
but the ultimate truth lies in the experiment.-
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Received on Wed Jun 14 2017 - 13:00:02 PDT
