Dear Amber Users,
I would like to know, when does cpptraj use the residue number information
from the original pdb file?
I have found this mail: http://archive.ambermd.org/201611/0140.html and
after I used the new topology file to generate RMSF plot I saw that cpptraj
won't use the original pdb file residue number.
How to make it use those informations?
For example:
if I type:
> resinfo :189-196
#Res Name First Last Natom #Orig #Mol
189 TYR 3092 3112 21 221 0 A
190 TYR 3113 3133 21 222 0 A
191 VAL 3134 3149 16 223 0 A
192 GLN 3150 3166 17 224 0 A
193 GLY 3167 3173 7 225 0 A
194 GLY 3174 3180 7 226 0 A
195 ASP 3181 3192 12 227 0 A
196 TRP 3193 3216 24 228 0 A
I want to have the numbers from the #Orig column instead of #Res in my
output file for RMSF.
Best regards
Karolina Mitusińska
PhD student
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Received on Tue Feb 21 2017 - 06:00:05 PST
