IC.
I just saw your previous thread.
thanks again for kind helps.
On 10/17/2012 08:49 PM, Justin Lemkul wrote:
On 10/17/12 2:46 PM, Albert wrote:
On 10/17/2012 08:43 PM, Justin Lemkul wrote:
Here you're adding atom types, not the associated GB parameters.
Some of
these atom types probably already exist within the gbsa.itp file of
the force
field, judging by their names. At least one (OS) does not.
-Justin
thank you for kind comments.
What should I do for this issue? do you have any advices?
I said it before. You need to add the appropriate parameters for the
missing atom types in the [implicit_genborn_params] directive of
either gbsa.itp or the topology itself. Maybe you can assign them
based on analogy. Maybe you need to derive them yourself.
-Justin
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