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 - 00:00:02 PST
