Dear Gustavo,
If you save a prmtop file you can then use rdparm to integerate the
parameters in that prmtop file.
E.g.
rdparm my.prmtop
bonds
Will print a list of all the bonds in your prmtop file with the parameters.
All the best
Ross
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From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf Of
Gustavo Pierdominici Sottile
Sent: Wednesday, August 03, 2005 07:40
To: amber.scripps.edu
Subject: AMBER: bond parameters
Dear amber users,
I have already defined a new aminoacid which has
two carbon atoms (both type C) bonded. I look at parm94.dat and the
parameters for C-C are not present. Surprisingly, when using tleap -f
leaprcff.94, these parameters are not absent. How can I see which are the
parameters that leap reads for C-C interaction?
pd: I use desc to see if the bond topology was ok, and it looks well
Thanking in advance
Gustavo
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Received on Wed Aug 03 2005 - 17:53:00 PDT
