RESP charges for modified DNA molecule
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Entering edit mode
9.0 years ago

Hi all,

I have created a mol2 file of a modified dna molecule in which each sugar moiety is having some modification.

I want to add RESP charges to the full mol2 file and then proceed for MD simulations in AMBER.

Is it possible to add RESP charges to full DNA molecule at a time? Please suggest how to proceed to get a file with RESP charges.

Thanks!

modifieddna RESPcharges • 1.5k views
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