[AMBER] Problem in not defining the hybridization of a atomtype

From: A kS <aks25121986.gmail.com>
Date: Mon, 26 Dec 2016 21:07:16 +0530

Dear AMBER users,

In order to simulate a modified residue I have used a perpin and frcmod
file corresponding to the modification.

In that prepin and frcmod file I used an new atomtype for an atom Sulphur.
Like a standard prepin and frcmod file, information regarding this atomtype
are given in those files except the hybridization state,

I forgot to add this atomtype in tleap file by using command "AddAtomtype".
As a result leap gives a warning "Unknown atomtype".
I am not sure whether this cause any major problem or not, because I think
necessary parameters for this atomtype, except hybridization state, are
given in the respective prepin and frcmod files.

Please help me in this issue.

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Received on Mon Dec 26 2016 - 08:00:03 PST
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