Re: [AMBER] Error in the namelist cntrl

From: David A Case <>
Date: Fri, 22 Nov 2019 08:30:33 -0500

On Fri, Nov 22, 2019, Airy Sanjeev wrote:
>I am trying to run TI initial minimization but got encountered with
>*error in reading namelist cntrl.*

What program are you running? Note that sander and pmemd have rather
different inputs for TI: this is discussed extensively in the Reference

As a guess, you have "scmask" in your input, but that is
sander-specific, and will fail for pmemd. But that is only a guess,
based on pretty incomplete information.


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Received on Fri Nov 22 2019 - 06:00:04 PST
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