[AMBER] Parameter file not saved

From: student_cbc_1 nnlab <studentcbcnnlab.gmail.com>
Date: Sun, 3 Nov 2019 16:41:19 +0530

Respected sir,

We plan to run classical MD simulation of α-cyclodextrin with iodine and
iodide (I-) ion. However, following error appears when the .prmtop and
.inpcrd are attempted to be generated. We plan to use ff10 force field
Amber11, where parameter of iodide (I-) ion is given. The parameters of
α-cyclodextrin and iodine are prepared using antechamber. The following
message appears when *the .prmtop and .inpcrd are attempted to be

>saveamberparm x acd.prmtop acd.inpcrd

Checking Unit.

WARNING: The unperturbed charge of the unit: -3.001000 is not zero.

 -- ignoring the warning.

Building topology.

Building atom parameters.

For atom: .R<I- 5>.A<I- 1> Could not find type: I-

For atom: .R<I- 6>.A<I- 1> Could not find type: I-

For atom: .R<I- 7>.A<I- 1> Could not find type: I-

Parameter file was not saved.

I look forward for the possible solution to the above problem, please.
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Received on Sun Nov 03 2019 - 03:30:01 PST
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