Dear Amber users
I am getting this message during building my topology in amber:-
old PREP-specified impropers:
<NAP 517>: C18 H20 N4 H21
<NAP 517>: C14 N1 C18 N4
<NAP 517>: H3 N3 C3 N1
<NAP 517>: C14 N7 C10 N3
<NAP 517>: C10 C18 C14 N5
<NAP 517>: H24 N7 C21 N5
<NAP 517>: C1 C10 N7 C21
<NAP 517>: C2 C6 N2 C19
<NAP 517>: C9 H6 C6 N2
<NAP 517>: C20 C6 C9 C13
<NAP 517>: C9 N6 C20 O17
<NAP 517>: C20 H22 N6 H23
<NAP 517>: C9 C17 C13 H25
<NAP 517>: C13 C19 C17 H18
<NAP 517>: C17 H19 C19 N2
<NAS 518>: C18 H20 N4 H21
<NAS 518>: C14 N1 C18 N4
<NAS 518>: H3 N3 C3 N1
<NAS 518>: C14 N7 C10 N3
<NAS 518>: C10 C18 C14 N5
<NAS 518>: H24 N7 C21 N5
<NAS 518>: C1 C10 N7 C21
<NAS 518>: C2 C6 N2 C19
<NAS 518>: C9 H6 C6 N2
<NAS 518>: C20 C6 C9 C13
<NAS 518>: C9 N6 C20 O17
<NAS 518>: C20 H22 N6 H23
<NAS 518>: C9 C17 C13 H25
<NAS 518>: C13 C19 C17 H18
<NAS 518>: C17 H19 C19 N2
total 1667 improper torsions applied
30 improper torsions in old prep form
Building H-Bond parameters.
Will these old prep impropers have some effect on my simulation? How should
I replace them with new ones?
Any suggestions will be highly appreciated.
Regards
Sadaf
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Received on Sat Jul 10 2021 - 09:00:02 PDT
