Also in cpptraj you should be able to do this.
Best Regards
Elvis Martis
Ph.D. Student (Computational Chemistry)
at Bombay College of Pharmacy
A Kalina, Santacruz [E], Mumbai 400098, INDIA
W www.elvismartis.in
Skype. adrian_elvis12
-----Original Message-----
From: Lovika Mittal [mailto:lovika.mittal.thsti.res.in]
Sent: Tuesday, March 07, 2017 10:29 AM
To: AMBER Mailing List <amber.ambermd.org>
Subject: Re: [AMBER] Query regarding extension of Molecular dynamics simulation from 50ns to 100ns
I did not give the option of creating md.rst file while running md, but i have .mdcrd file for 50ns . So, is it possible to extend MD simulation with .mdcrd file.
On Tue, Mar 7, 2017 at 10:05 AM, Elvis Martis <elvis.martis.bcp.edu.in>
wrote:
> Hello,
> If you were able to complete upto 50 ns, then what happened to the rst
> file??
>
>
> Best Regards
>
>
>
> Elvis Martis
> Ph.D. Student (Computational Chemistry) at Bombay College of Pharmacy
>
>
> A Kalina, Santacruz [E], Mumbai 400098, INDIA
> W www.elvismartis.in
> Skype. adrian_elvis12
>
>
>
>
> -----Original Message-----
> From: Lovika Mittal [mailto:lovika.mittal.thsti.res.in]
> Sent: Tuesday, March 07, 2017 9:56 AM
> To: amber.ambermd.org
> Subject: [AMBER] Query regarding extension of Molecular dynamics
> simulation from 50ns to 100ns
>
> Dear Sir/Madam,
> I would like to know how to extend the MD simulation of a protein-ligand
> complex from 50ns to 100 ns if we do not have md.rst file.
> I look forward to hearing from you soon.
>
> Thanking You.
>
> --
> *Lovika Mittal*
> *Junior Research Fellow*
> *D*rug *D*iscovery *R*esearch *C*entre *(DDRC)* *T*ranslational *H*ealth
> *S*cience and *T*echnology *I*nstitute (*THSTI*), NCR Biotech Science
> Cluster, 3rd Milestone, Faridabad-Gurgaon Expressway, Faridabad-121001,
> Haryana, India.
> Mail- lovika93.gmail.com, lovika.mittal.thsti.res.in
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
*Lovika Mittal*
*Junior Research Fellow*
*D*rug *D*iscovery *R*esearch *C*entre *(DDRC)*
*T*ranslational *H*ealth *S*cience and *T*echnology *I*nstitute (*THSTI*),
NCR Biotech Science Cluster,
3rd Milestone, Faridabad-Gurgaon Expressway,
Faridabad-121001, Haryana, India.
Mail- lovika93.gmail.com, lovika.mittal.thsti.res.in
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Received on Mon Mar 06 2017 - 21:30:02 PST
