Hi<br>
I installed gromacs 3.3 and 3.2 in my cluster account (mpi version) and also in my computer (not mpi version). <br>
It seems to work perfect and I have been running some simulations with one node.<br>
If i try to use multiple processors (2 or more) my simulation crash
because of "Relative constrain deviation after <span id="st" name="st" class="st0">LINCS</span>" what am I
doing wrong? it is the same system and it works in one node but not in
multiple nodes. <br>
<br>
I have already try to fix it with all the problems listed about <span id="st" name="st" class="st0">LINCS</span> but it doesn't work <br>
<br>
Laura D<br>
UCSF<br>