[gmx-users] question

Alex nedomacho at gmail.com
Sun Jul 12 03:45:50 CEST 2015

Aaaaand now I have a reference for when I tell people that PRODRG is
utterly useless.

Thank you.

JL> On 7/11/15 3:43 AM, Atila Petrosian wrote:
>> Dear Mark,
>> Thanks for your attention,
>> If I want to use PRODRG server and not ATB for my ligand, how to modify
>> charge and charge group number?
>> I am beginner in this  acse, please guide about that.

JL> Shameless self-promotion for the millionth time:

JL> http://pubs.acs.org/doi/abs/10.1021/ci100335w

JL> -Justin

JL> -- 
JL> ==================================================

JL> Justin A. Lemkul, Ph.D.
JL> Ruth L. Kirschstein NRSA Postdoctoral Fellow

JL> Department of Pharmaceutical Sciences
JL> School of Pharmacy
JL> Health Sciences Facility II, Room 629
JL> University of Maryland, Baltimore
JL> 20 Penn St.
JL> Baltimore, MD 21201

JL> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
JL> http://mackerell.umaryland.edu/~jalemkul

JL> ==================================================

Best regards,
 Alex                            mailto:nedomacho at gmail.com

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