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Your GROMACS manual is your friend :-)<br><br>
I had no idea how you would exactly do this, just from using all the
scripts are reading through the manual (appendix E), so I then simply
looked through the manual and found the answers below ....<br><br>
<blockquote type=cite class=cite cite>
Thanks a lot for your reply.But how to calculate the number of A<br>
molecules present in the bilayer.By simple visualization it is very<br>
difficult I guess.Is there any GROMACS command which gives us the number
of<br>
A molecules present within the bilayer.</blockquote><br>
g_dist should be able to do it, though not sure about how usable the
output is, will have to create an index file from that I think.<br><br>
The other option is trjorder, since it is used for "analysing the n
waters closest to a protein".<br><br>
Catch ya,<br>
<x-sigsep><p></x-sigsep>
<b>Dr. Dallas Warren<br>
</b><i>Lecturer<br>
</i>Department of Pharmaceutical Biology and Pharmacology<br>
Victorian College of Pharmacy, Monash University<br>
381 Royal Parade, Parkville VIC 3010<br>
<font color="#0000FF"><u>dallas.warren@vcp.monash.edu.au<br>
</u></font>+61 3 9903 9574<br>
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