[gmx-users] Re: gmx-users Digest, Vol 52, Issue 97 (Justin A. Lemkul)

Ragnarok sdf fabracht1 at gmail.com
Wed Aug 27 19:57:33 CEST 2008

Hello Justin. I know I just sent you an email in reply to your last one, but
now things seemed to have finally worked out. What I did was simply to add a
Cytidine residue to the 5' end and a Guanine to the 3' end of each chain.
Now all of a sudden I have integer charge and everything seems to work out
just fine.
I tried this because the dickerson.pdb file test given by AMBER finishes
with those residues, so I thought why not try.
Well, I am glad things worked, but still if you want me to try and correct
the previous errors, in order to add knowledge for future gromacs' users, I
would be glad to continue.
Thank you again
Fabrício Bracht
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