read.prmtop issues warning when reading prmtop with acetylated N terminus

[Edwin Aponte]

Hi,

I am getting the following warning when trying to read a prmtop that has a peptide wih acetylated N terminus:

In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: ACE

So far this haven't prevented me from using the prmtop file for other purposes but I think it would be good if you include it as one non-standard residue or something like that.

Regards, Edwin.

[Barry Grant]

Thanks Edwin, we will add this to the non standard residue list as suggested.