AMBER Archive (2002)Subject: building bcyd with tleap
From: Itziar Maestre Asenjo (itziar_at_qorws1.uab.es)
Date: Wed Mar 20 2002 - 04:51:47 CST
Hi !
I am trying to build a beta-cyclodextrin molecule with tleap. By the
moment I have the seven residues of glucosa and in my leap input file i
have added the comands:
frcmod = loadamberparams frcmod.par
parm99 = loadAmberParams parm99.dat
saveOff frcmod frcmod.lib
saveOff parm99 parm99.lib
loadAmberPrep bcd1_prp.in
loadAmberPrep bcd2_prp.in
loadAmberPrep bcd3_prp.in
loadAmberPrep bcd4_prp.in
loadAmberPrep bcd5_prp.in
loadAmberPrep bcd6_prp.in
loadAmberPrep bcd7_prp.in
now I would like to link all the residues, which is the best way to do
it? which command do I need?
Thanks in advance
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