On Wed, Mar 02, 2016, Sreemol G wrote:
> This command didn't work. Again getting same error.. i have used ff14SB
> force field and tried to add Na+ ions. ions was successfully added. while
> trying to save the topology and coordinate file only I'm getting error.
We need to know *exactly* what inputs you used. Email exchanges can be hard
to follow, and just saying "this command didn't work" makes it really hard for
people to help.
Be sure to read Section 3.10 ("Ions") in the Amber 2015 Reference Manual.
For Na+ with DNA/RNA, you want a command like this:
loadAmberParams frcmod.ionsjc_tip3p
(Change tip3p to something else if you are not using the TIP3P water model).
If you think you have done this, and are still getting an error, please
copy and paste the exact leap inputs into your email.
....dac
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Received on Wed Mar 02 2016 - 05:30:04 PST
