Alternatively, you could define your monomers in the relevant ff???.rtp
file so that pdb2gmx can build the polymer from residues. You can use
PRODRG to give you an idea of what charges you should assign to the
atoms. See section 5.5 of the manual for more information.
Luke
Message: 2
Date:
Message: 2
Date: Tue, 6 Mar 2007 01:53:07 -0500
From: "Karthikeyan Pasupathy" <[EMAIL PROTECTED]>
Subject: [gmx-users] .GRO and .TOP files editing
To: "Discussion list for GROMACS users"
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<[EMAIL PROTECTED]>
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I have a polymer mole
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