Good suggestion, thank you,
Yes xleap crashes
out put has one line in the atoms only
.<TRIPOS>MOLECULE
DMSO
10 9 1 0 1
SMALL
USER_CHARGES
.<TRIPOS>ATOM
1 C1 1.352237 -0.856933 0.225852 C 1 DMSO
-0.2897 *
***
--that is the end of tripos2.mol2
Quoting FyD <fyd.q4md-forcefieldtools.org>:
> Quoting taufik.alsarraj.utoronto.ca:
>
>> Thank you for the suggestions. Unfortunately xleap and tlean still
>> crashes.
>
> We will have Amber10 installed pretty soon: We will test this...
>
> Using the more basic Tripos mol2 file available .
> http://q4md-forcefieldtools.org/REDDB/up/W-1/tripos1.mol2
> may I ask you to run this simple script:
>
> TEST = loadmol2 tripos1.mol2
> savemol2 TEST tripos2.mol2 0
>
> Does it crash also ?
>
> regards, Francois
>
>
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Received on Sun Aug 31 2008 - 06:08:02 PDT
