No. Bonded interactions (such as distance restraints) can only be defined
between atoms present in the same [moleculetype]. OTOH a [moleculetype]
doesn't care whether any bonded interactions exist between its atoms or
not, so as long as you obey the constraint that the atom ordering implied
by your
On 12/11/12 1:23 AM, Yun Shi wrote:
Hi all,
I want to restrain the OW of a bound water molecule for the MD of a
protein in water. But the index of this OW is apparently out of range
and I know someone would suggest merging this water with my protein
(e.g. put them in the same .itp file) so as
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