Dear All,
I used RMS command in carnal as follow:
=========================
GROUP grp0 ((RES 1-180) & (ATOM NAME N CA C));
RMS rms0 FIT grp0 s1 ref1;
GROUP grp1 ((RES 5) & (! (ATOM NAME H H? H?? H???)));
RMS rms1 grp1 rms0;
GROUP grp2 ((RES 7) & (! (ATOM NAME H H? H?? H???)));
RMS rms2 grp2 rms0;
GROUP grp3 ((RES 59) & (! (ATOM NAME H H? H?? H???)));
RMS rms3 grp3 rms0;
GROUP grp4 ((RES 63) & (! (ATOM NAME H H? H?? H???)));
RMS rms4 grp4 rms0;
GROUP grp5 ((RES 5,7,59,63) & (! (ATOM NAME H H? H?? H???)));
RMS rms5 grp5 rms0;
=========================
The result is:
=========================
--RMS rms1: avg 1.276 dev 0.240 max 1.995 min 0.623 N
200
--RMS rms2: avg 1.151 dev 0.279 max 2.012 min 0.476 N
200
--RMS rms3: avg 1.793 dev 0.321 max 3.190 min 1.121 N
200
--RMS rms4: avg 1.125 dev 0.220 max 1.664 min 0.660 N
200
--RMS rms5: avg 1.396 dev 0.178 max 1.943 min 1.000 N
200
=========================
The deviation of rms5 is the smallest. It seems that the more atoms in
grp5, the smaller the devistion is. I wonder if it is normal.
Thank you very much for your help.
Shunzhou Wan
Received on Mon Mar 24 2003 - 11:53:01 PST
