[gmx-users] How to create top of small molecules with pdb2gmx

[Justin Lemkul]

On 3/28/19 9:36 AM, Tingguang.S wrote:
> Thank you, Justin！
>
>
> You mean that I should use the following command:  "gmx pdb2gmx -f formic-acid.pdb -ter "？
> I had used the flag -ter, but the program did not prompt interactive selection.

I don't know how that could have happened. The purpose of -ter is to 
trigger an interactive selection.

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
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