Dear Justin
very thanks for your time and attention.
I checked my input files again. there was problem in .pdb file.
correction of .pdb file results in output file being as follows (previous
problem was solved):
# Donor Acceptor %
Exist.
0.160
NGL1 N SOL2225 OW 0.400
ARG58 NH2 SOL3827 OW 43.565
ARG58 NH2 SOL7338 OW 1.839
ARG58 NH1 SOL2225 OW 0.080
ARG58 NH1 SOL2253 OW 21.663
ARG58 NH1 SOL7338 OW 0.160
ARG58 NE SOL3595 OW 1.359
SOL1043 OW GLY3 O 1.759
SOL1043 OW GLY4 O 0.400
SOL1548 OW THR47 O 61.711
SOL1548 OW ASN51 OD1 16.867
SOL1548 OW ASN51 ND2 0.320
SOL1805 OW GLN23 OE1 11.191
SOL1805 OW LEU26 O 0.160
SOL1805 OW SER27 N 0.160
best regards
--
Leila Karami
Ph.D. student of Physical Chemistry
K.N. Toosi University of Technology
Theoretical Physical Chemistry Group
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
