[gmx-users] phosphate amino acid

Albert mailmd2011 at gmail.com
Wed Jan 22 16:10:11 CET 2014


I am using charmm36 for MD simulations. There are some phosophate amino 
acids (including Ser and Thr) within my protein. I am just wondering is 
there any template in the 2014 update c36 FF? I opened the merge.rtp 
file and I am not sure whether they are there or not, since the name of 
each group is very difficult to recognize without a chemical scheme.

thank you very much.


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