On Sat, Apr 03, 2010, pxq wrote:
>
> I am trying to add S-S bond to my prmtop in tleap. After load .pdb,
> I tried " bond residue-number.SG residue-number.SG " and the error
> report is " bond: Argument #1 is type String must be of type: [atom]
> usage: bond <atom1> <atom2> [order]"
>
> I have also tried
> " bond residue-name.residue-number.SG residue-name.residue-number.SG S "
> "bond trx.residue-number.SG trx.residue-number.SG "
> But faild. And I am sure the residue number and atom name (SG) are right.
You don't say how your are "sure". The sytax is
unitname.residuenumber.atomname. Use the "desc" command to find out the exact
names LEaP is using for your system.
....dac
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Received on Sat Apr 03 2010 - 08:00:03 PDT
