From: Peter Freddolino (petefred_at_umich.edu)
Date: Fri Jan 31 2020 - 09:49:56 CST
Sorry to ask a potentially obvious question, but can you please confirm
that running the *exact same* TIP4P system in version 2.13 vs the nightly
build gives different results? Your email only says that you used some
unspecified TIP4P system in namd 2.13 and it worked ok. If this is the same
system, can you provide a small test case that reproduces the behavior that
you are seeing?
On Fri, Jan 31, 2020 at 10:00 AM Laura Lopes <laurajoanalopes_at_gmail.com>
> It looks like my message was cutted because of the link. Sorry everyone,
> that's the original one!
> On Fri, 31 Jan 2020, 11:22 Laura Lopes, <laurajoanalopes_at_gmail.com> wrote:
>> Dear all,
>> I installed the nightly build version and I get an error message when I
>> try to run a TIP4P system.
>> *FATAL ERROR: must have same number of LP hosts as lone pairs*
>> Apparently this error existed in an old NAMD version.
>> Does someone have an idea on how to solve this ? I was running version
>> 2.13 with TIP4P systems and everything was fine.
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