AMBER Archive (2003)

Subject: AMBER: (no subject)

From: Narang Manpreet Kaur (preetdbs_at_iitr.ernet.in)
Date: Tue Aug 05 2003 - 08:55:57 CDT

 Dear AMBER users,
                   I want to add a a waterbox with with different x, y,
and z dimensions. Please suggest
I tried the following
solvatebox commar WATBOX216 30.17 31.27 49.96
Solute vdw bounding box:
23.043 21.954 26.720
Total bounding box for atom centers: 83.383 82.294 87.060
Solvent unit box: 18.774 18.774 18.774
Total vdw box size: 23.043 21.954 26.720 angstroms.
Volume: 13517.515 A^3
Total mass 4463.392 amu, Density 0.548 g/cc
Added 0 residues.
Why zero residues added?
Thanking you
Manpreet Kaur Narang
Research Scholar
Deptt.Biotechnology
Indian Institute of Technology Roorkee (IITR)
Roorkee, 247 667 India

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