<div>Dear gromacs users,</div><div>I am running REMD through gromacs 4.5.5 using 10replicas. </div><div>I am experiencing a problem with simulation efficiency, in particular from gromacs output, like the following:</div><div>
vol 0.49 imb F 4% vol 0.64 imb F 8% vol 0.17 imb F 2% vol 0.56 imb F 10% vol 0.17! imb F 7% vol 0.75 imb F 11% vol 0.45 imb F 11% vol 0.13! imb F 8% vol 0.45 imb F 16% vol 0.55 imb F 23% step 735900, will finish Mon Apr 16 07:29:53 2012</div>
<div><br></div><div>it seems that higher temperature replicas suffer of an higher imbalance between force and PME.</div><div><br></div><div><br></div><div>These are the average values:</div><div><br></div><div>4.58991117815</div>
<div>5.5175129881</div><div>6.32679738562</div><div>7.21887045416</div><div>8.1979219038</div><div>9.45466733702</div><div>10.9115133233</div><div>12.5899111781</div><div>15.0987095693</div><div>19.5630970337</div><div><br>
</div><div>Of course this problem impacts on overall performances. </div><div><br></div><div>My questions are:</div><div>1) Is the progressive imbalance expected?</div><div>2) Is there any way to alleviate the problem?</div>
<div><br></div><div><br></div><div>Francesco</div>