It sounds like you would benefit from studying the tutorials, since
there are multiple issues here. Be sure to cover material on the
creation of new residue templates and charge definition.
Bill
On 11/7/17 11:32 PM, Shilpa Gupta wrote:
> Dear Amber Users,
> I am generating input files (inpcrd and prmtop) for the simulation where
> the system comprises of units as [bmim][Cl] and 1 molecule with residues
> named as aaa, bbb, ccc. This box i have generated using packmol. During the
> generation of toppolgy and coordinates file in leap i have got error as
> Residue 0: aaa, Terminal/beginning, was not found in name map.
> Residue 1: bbb, Nonterminal, was not found in name map.
> Residue 13: ccc, Nonterminal, was not found in name map.
> Residue 30: BMI, Nonterminal, was not found in name map.
> Residue 131: Cl-, Terminal/last, was not found in name map.
>
> Here BMI unit and Cl- unit were present when i listed the residues in leap,
> stil this error is coming. I have attached my leap.log file. Thanks in
> advance.
>
>
> Shilpa Gupta
>
>
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Received on Wed Nov 08 2017 - 00:00:03 PST
