Re: [AMBER] Urgent: unable to generate files

From: liu junjun <ljjlp03.gmail.com> Date: Tue, 13 May 2014 18:49:36 +0800

---
source leaprc.ff99SB
chitinase3 = sequence {MET PRO SER PHE LYS SER VAL VAL
SER SER LEU PRO VAL ILE LEU THR ALA LEU PRO SER VAL GLN ALA GLY LEU ASP LEU
SER SER THR SER ASN VAL VAL VAL TYR TRP GLY GLN ASN SER ALA ALA ALA SER GLY
GLY GLY PRO SER GLN GLN PRO LEU ALA THR TYR CYS GLU ASP PRO ASN ILE ASP THR
LEU VAL MET ALA PHE MET THR ARG ILE ASN GLY ALA GLY GLY VAL PRO GLU ILE ASN
LEU ALA ASN ILE GLY ASP SER CYS GLY THR PHE ASP GLY THR ASN LEU LYS ASP CYS
PRO GLN VAL GLY GLU ASP ILE LYS LYS CYS GLN SER LEU GLY LYS THR ILE LEU LEU
SER ILE GLY GLY ALA THR TYR THR GLU GLY GLY PHE GLN SER ALA GLU ALA ALA GLU
ALA GLY ALA ARG MET VAL TRP GLU THR PHE GLY PRO VAL THR ASN GLY ASP ALA LEU
ARG PRO PHE GLY ASP ALA VAL VAL ASP GLY PHE ASP LEU ASP PHE GLU ALA THR VAL
SER ASN MET VAL PRO PHE ALA ASN THR LEU ARG SER LEU MET ASP SER ASP SER SER
LYS GLN TYR PHE LEU THR ALA ALA PRO GLN CYS PRO PHE PRO ASP ALA ALA ASN LYS
GLU MET LEU ASP GLY ALA VAL SER PHE ASP ALA ILE TRP VAL GLN PHE TYR ASN ASN
TYR CYS GLY VAL ASN SER TYR PRO ASP ASN PHE ASN PHE ASN THR TRP ASP ASP TRP
ALA GLN ASN THR SER LYS ASN LYS ASN VAL LYS VAL LEU VAL GLY VAL PRO ALA ASN
THR GLY ALA ALA GLY SER GLY TYR LEU PRO VAL ASP GLN LEU ALA PRO VAL ILE GLU
HIS ALA ARG THR PHE PRO SER PHE GLY GLY VAL MET MET TRP ASP ALA SER GLN ALA
TYR ALA ASN ASP GLY PHE LEU SER GLY ILE LYS SER ILE LEU GLY SER VAL ILE SER
ARG VAL LYS ARG MET PHE PHE ARG ARG ASP PHE TRP}
saveamberparm chitinase3 chitinase3.prmtop chitinase3.prmcrd
---
Regards,
Junjun
On Tue, May 13, 2014 at 4:20 PM, Faez Iqbal khan <khanfaeziqbal.gmail.com>wrote:
> Hi,
>
> I am running tleap for my 343 long chain amino acids. I can not generate
> any files. please let me know what coomand to use.
>
> command I am using : /export/home/msoliman/bin/amber10/exe/tleap
>
>
>
> files:
>
>
> source leaprc.ff99SBchitinase3 = sequence {MET PRO SER PHE LYS SER VAL VAL
> SER SER LEU PRO VAL ILE LEU THR ALA LEU PRO SER VAL GLN ALA GLY LEU ASP LEU
> SER SER THR SER ASN VAL VAL VAL TYR TRP GLY GLN ASN SER ALA ALA ALA SER GLY
> GLY GLY PRO SER GLN GLN PRO LEU ALA THR TYR CYS GLU ASP PRO ASN ILE ASP THR
> LEU VAL MET ALA PHE MET THR ARG ILE ASN GLY ALA GLY GLY VAL PRO GLU ILE ASN
> LEU ALA ASN ILE GLY ASP SER CYS GLY THR PHE ASP GLY THR ASN LEU LYS ASP CYS
> PRO GLN VAL GLY GLU ASP ILE LYS LYS CYS GLN SER LEU GLY LYS THR ILE LEU LEU
> SER ILE GLY GLY ALA THR TYR THR GLU GLY GLY PHE GLN SER ALA GLU ALA ALA GLU
> ALA GLY ALA ARG MET VAL TRP GLU THR PHE GLY PRO VAL THR ASN GLY ASP ALA LEU
> ARG PRO PHE GLY ASP ALA VAL VAL ASP GLY PHE ASP LEU ASP PHE GLU ALA THR VAL
> SER ASN MET VAL PRO PHE ALA ASN THR LEU ARG SER LEU MET ASP SER ASP SER SER
> LYS GLN TYR PHE LEU THR ALA ALA PRO GLN CYS PRO PHE PRO ASP ALA ALA ASN LYS
> GLU MET LEU ASP GLY ALA VAL SER PHE ASP ALA ILE TRP VAL GLN PHE TYR ASN ASN
> TYR CYS GLY VAL ASN SER TYR PRO ASP ASN PHE ASN PHE ASN THR TRP ASP ASP TRP
> ALA GLN ASN THR SER LYS ASN LYS ASN VAL LYS VAL LEU VAL GLY VAL PRO ALA ASN
> THR GLY ALA ALA GLY SER GLY TYR LEU PRO VAL ASP GLN LEU ALA PRO VAL ILE GLU
> HIS ALA ARG THR PHE PRO SER PHE GLY GLY VAL MET MET TRP ASP ALA SER GLN ALA
> TYR ALA ASN ASP GLY PHE LEU SER GLY ILE LYS SER ILE LEU GLY SER VAL ILE SER
> ARG VAL LYS ARG MET PHE PHE ARG ARG ASP PHE TRP}
>
> saveamberparm chitinase3 chitinase3.prmtop chitinase3.prmcrd
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