Hi GROMACS specialist, <br>I am using MARTINI forcefield,<br>My mdp file contain following parameter<br><br>constraint_algorithm = Lincs<br>unconstrained_start = no<br>lincs_order = 4<br>lincs_warnangle = 90 <br>
gromacs output is<br>Step 0, time 0 (ps) LINCS WARNING<br>relative constraint deviation after LINCS:<br>rms 2155.597709, max 3283.297607 (between atoms 1676 and 1675)<br>bonds that rotated more than 90 degrees:<br>so what to do???<br>
Please give me the valuable suggestion<br><br>thank you <br>