Hello AMBER users,
I need to construct a metal contain system, thus I used the MCPB.py bu
Pengfei Li, but after following the tutorial, I get an error in tleap like
this :
----------------------------------------------------------------------------
----------------------------------------------
/home/hj/program/amber18/bin/teLeap: Error!
For atom (.R<AL1 380>.A<CL2 1>) could not find vdW (or other) parameters for
type (Y1)
/home/hj/program/amber18/bin/teLeap: Error!
For atom (.R<AL1 380>.A<CL3 2>) could not find vdW (or other) parameters for
type (Y2)
/home/hj/program/amber18/bin/teLeap: Error!
For atom (.R<AL1 380>.A<O4 3>) could not find vdW (or other) parameters for
type (Y3)
/home/hj/program/amber18/bin/teLeap: Error!
For atom (.R<AL1 380>.A<O6 5>) could not find vdW (or other) parameters for
type (Y4)
/home/hj/program/amber18/bin/teLeap: Error!
For atom (.R<AU1 381>.A<AU 1>) could not find vdW (or other) parameters for
type (M1)
----------------------------------------------------------------------------
----------------------------------------------
So whats the problem? And how to solve the problem?
Any suggestion will be apprecialted.
Thank you !
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Received on Mon Dec 03 2018 - 04:00:02 PST
