Entering edit mode
9.0 years ago
pradeep.pant25
▴
10
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!