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<body class='hmmessage'><div style="text-align: left;">Dear Sir,<br><br>I am running Molecular dynamics simulation. Using other constraints the program is running very fast but if I am using constraints = h-angles or all-angles the program is taking too much of time (running since last 12 hours).<br><br>Kindly suggest me that is it the normal behavior of the program or something went wrong with my data.<br><br>Regards<br> <br><br><br><br><br><br><br><br><br><br><br> -nice int 0 Set the nicelevel<br> -[no]v bool yes Be loud and noisy<br> -time real -1 Take frame at or first after this time.<br> -np int 1 Generate statusfile for # nodes<br>-[no]shuffle bool no Shuffle molecules over nodes<br> -[no]sort bool no Sort molecules according to X coordinate<br>-[no]rmvsbds bool yes Remove constant bonded interactions with vi<br> sites<br> -load string Releative load capacity of each node on a<br> parallel machine. Be sure to use quotes aro<br> the string, which should contain a number f<br> each node<br> -maxwarn int 10 Number of warnings after which input proces<br> stops<br>-[no]check14 bool no Remove 1-4 interactions without Van der Waa<br> -[no]renum bool yes Renumber atomtypes and minimize number of<br> atomtypes<br><br>creating statusfile for 1 node...<br><br>Back Off! I just backed up mdout.mdp to ./#mdout.mdp.16#<br>checking input for internal consistency...<br>calling /usr/bin/cpp...<br>processing topology...<br>Generated 279 of the 1225 non-bonded parameter combinations<br>Excluding 3 bonded neighbours for Protein_A 1<br>turning all bonds and H angles into constraints...<br><br></div><br /><hr />Help yourself to FREE treats served up daily at the Messenger Café. <a href='http://www.cafemessenger.com/info/info_sweetstuff2.html?ocid=TXT_TAGLM_OctWLtagline' target='_new'>Stop by today!</a></body>
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