AMBER Archive (2002)

Subject: pentane minimization...again

From: Hungie Hungie (hungie01_at_hotmail.com)
Date: Thu Apr 18 2002 - 11:30:15 CDT

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Dear All,

Now I can build pentane template by adding charge and atom type. Thanks for
all suggestions. However, some questions still have no answer. Could you
please give me suggestion?

I just want to do simple minimization and I have no extra force field.

1. Can I use parm94.dat for pentane?

2. How to control a plane of C-C-C-C-C in the same plane (as original
structure), but allow changing of bond length (C-C) and angle (C-C-C)?
Input file is appreciated.

Thank you again in advance.

Hungie

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